N-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine

C23H46N4O3S — CID 140515827

IUPACN-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine
SMILESCCN(CC)CCS(=O)(=O)C1CCC(NC2NCC(C3CCC(OC)CC3)CN2)CC1
InChIInChI=1S/C23H46N4O3S/c1-4-27(5-2)14-15-31(28,29)22-12-8-20(9-13-22)26-23-24-16-19(17-25-23)18-6-10-21(30-3)11-7-18/h18-26H,4-17H2,1-3H3
InChIKeyMAULUDNSBGAJQX-UHFFFAOYSA-N
MW458.71 g/mol
LogP1.94
Rot. Bonds10

About N-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine

N-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine (PubChem CID 140515827) has the molecular formula C23H46N4O3S and a molecular weight of 458.71 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine
PubChem CID140515827
Molecular FormulaC23H46N4O3S
Molecular Weight458.71 g/mol
Exact Mass458.33
IUPAC NameN-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine
SMILESCCN(CC)CCS(=O)(=O)C1CCC(NC2NCC(C3CCC(OC)CC3)CN2)CC1
InChIInChI=1S/C23H46N4O3S/c1-4-27(5-2)14-15-31(28,29)22-12-8-20(9-13-22)26-23-24-16-19(17-25-23)18-6-10-21(30-3)11-7-18/h18-26H,4-17H2,1-3H3
InChIKeyMAULUDNSBGAJQX-UHFFFAOYSA-N
XLogP1.94
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.71
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine with MolForge

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Related Compounds

N-[4-[2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethoxy]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine
CID 140515824
N-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide
CID 140516046
5-(4-methoxycyclohexyl)-N-[4-[2-[methyl(prop-2-ynyl)amino]ethoxy]cyclohexyl]-1,3-diazinan-2-amine
CID 140516084
4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 140516048
N-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide
CID 140515774
5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine
CID 140515870
N-[1-[[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 140515848
N-(3-imidazol-1-ylpropyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide
CID 140515752
tert-butyl (2R)-2-[[4-[2-[[4-[2-(diethylamino)ethoxy]cyclohexyl]amino]-1,3-diazinan-5-yl]cyclohexyl]methylamino]propanoate
CID 140515742
5-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-2,2,3-trimethylpentanoic acid
CID 140541546
ethyl 2-[1-[2-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]ethyl]piperidin-4-yl]acetate
CID 140516163
methyl 2-[1-[2-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]ethyl]piperidin-4-yl]acetate
CID 140516012

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine?
The IUPAC name of N-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine (CID 140515827) is N-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine.
What is the SMILES notation for N-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine?
The canonical SMILES for N-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine is CCN(CC)CCS(=O)(=O)C1CCC(NC2NCC(C3CCC(OC)CC3)CN2)CC1.
What is the InChIKey of N-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine?
The InChIKey is MAULUDNSBGAJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N4O3S/c1-4-27(5-2)14-15-31(28,29)22-12-8-20(9-13-22)26-23-24-16-19(17-25-23)18-6-10-21(30-3)11-7-18/h18-26H,4-17H2,1-3H3.
What are the key properties of N-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine?
N-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine has a molecular weight of 458.71 g/mol, XLogP of 1.94, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine is sourced from PubChem (CID 140515827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).