N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine

C15H30N2OS — CID 54981732

IUPACN'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine
SMILESCN(CCCNC1CCS(=O)CC1)C1CCCCC1
InChIInChI=1S/C15H30N2OS/c1-17(15-6-3-2-4-7-15)11-5-10-16-14-8-12-19(18)13-9-14/h14-16H,2-13H2,1H3
InChIKeyQVGVPPNPSDZREP-UHFFFAOYSA-N
MW286.48 g/mol
LogP2.14
Rot. Bonds6

About N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine

N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine (PubChem CID 54981732) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine
PubChem CID54981732
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC NameN'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine
SMILESCN(CCCNC1CCS(=O)CC1)C1CCCCC1
InChIInChI=1S/C15H30N2OS/c1-17(15-6-3-2-4-7-15)11-5-10-16-14-8-12-19(18)13-9-14/h14-16H,2-13H2,1H3
InChIKeyQVGVPPNPSDZREP-UHFFFAOYSA-N
XLogP2.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine
CID 60980818
N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 63451987
N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine
CID 65083055
N'-cyclohexyl-N'-methyl-N-(thiolan-3-yl)propane-1,3-diamine
CID 54880266
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
N'-methyl-N-(1-oxothian-4-yl)-N'-phenylpropane-1,3-diamine
CID 54981703
3-[methyl-(1-oxothian-4-yl)amino]propan-1-ol
CID 111543956
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
2-[3-(cyclopropylamino)propyl-methylamino]cyclohexan-1-ol
CID 102636193
N'-ethyl-N'-methyl-N-(1-oxothian-4-yl)ethane-1,2-diamine
CID 62634173
N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 63098109
N-cyclopentyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82753838

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine (CID 54981732) is N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine is CN(CCCNC1CCS(=O)CC1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine?
The InChIKey is QVGVPPNPSDZREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-17(15-6-3-2-4-7-15)11-5-10-16-14-8-12-19(18)13-9-14/h14-16H,2-13H2,1H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine has a molecular weight of 286.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-(1-oxothian-4-yl)propane-1,3-diamine is sourced from PubChem (CID 54981732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).