[1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol

C15H28N2O3S — CID 102887311

IUPAC[1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol
SMILESCC1CS(=O)(=O)CCN1C1CCCC(CO)(NC2CC2)C1
InChIInChI=1S/C15H28N2O3S/c1-12-10-21(19,20)8-7-17(12)14-3-2-6-15(9-14,11-18)16-13-4-5-13/h12-14,16,18H,2-11H2,1H3
InChIKeyDNFRPENOBHHSGY-UHFFFAOYSA-N
MW316.47 g/mol
LogP0.53
Rot. Bonds4

About [1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol

[1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol (PubChem CID 102887311) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol
PubChem CID102887311
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name[1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol
SMILESCC1CS(=O)(=O)CCN1C1CCCC(CO)(NC2CC2)C1
InChIInChI=1S/C15H28N2O3S/c1-12-10-21(19,20)8-7-17(12)14-3-2-6-15(9-14,11-18)16-13-4-5-13/h12-14,16,18H,2-11H2,1H3
InChIKeyDNFRPENOBHHSGY-UHFFFAOYSA-N
XLogP0.53
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol with MolForge

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Related Compounds

[1-[(1,1-Dioxothian-4-yl)amino]cyclohexyl]methanol
CID 55082460
[1-[(1,1-Dioxothian-4-yl)amino]-3-methylcyclohexyl]methanol
CID 62552486
2-(Cyclopropylamino)-6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylhexan-1-ol
CID 64797502
2-(Cyclopropylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-ol
CID 64797504
6-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64797715
[1-(3-Ethylsulfonylpropylamino)cyclohexyl]methanol
CID 65092788
[1-(Methylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol
CID 79633520
[3-[(1,1-Dioxothiolan-3-yl)-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634384
[1-(Ethylamino)-3-(4-methylsulfonylpiperazin-1-yl)cyclohexyl]methanol
CID 79634530
[1-(Cyclopropylamino)-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol
CID 79635378
[3-[(1,1-Dioxothiolan-3-yl)-methylamino]-1-(propylamino)cyclohexyl]methanol
CID 79635383
[1-Amino-3-[(1,1-dioxothiolan-3-yl)-methylamino]cyclohexyl]methanol
CID 79640157

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol (CID 102887311) is [1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol is CC1CS(=O)(=O)CCN1C1CCCC(CO)(NC2CC2)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol?
The InChIKey is DNFRPENOBHHSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-12-10-21(19,20)8-7-17(12)14-3-2-6-15(9-14,11-18)16-13-4-5-13/h12-14,16,18H,2-11H2,1H3.
What are the key properties of [1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol?
[1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol has a molecular weight of 316.47 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]methanol is sourced from PubChem (CID 102887311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).