3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide

C15H28N2O2S — CID 107755218

IUPAC3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(SC2CCOC2C)C1
InChIInChI=1S/C15H28N2O2S/c1-3-8-17-15(14(16)18)7-4-5-12(10-15)20-13-6-9-19-11(13)2/h11-13,17H,3-10H2,1-2H3,(H2,16,18)
InChIKeyYLKQZUQJRMBPRE-UHFFFAOYSA-N
MW300.47 g/mol
LogP2.06
Rot. Bonds6

About 3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide

3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide (PubChem CID 107755218) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide
PubChem CID107755218
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(SC2CCOC2C)C1
InChIInChI=1S/C15H28N2O2S/c1-3-8-17-15(14(16)18)7-4-5-12(10-15)20-13-6-9-19-11(13)2/h11-13,17H,3-10H2,1-2H3,(H2,16,18)
InChIKeyYLKQZUQJRMBPRE-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxylic acid
CID 107755360
1-(ethylamino)-3-(2-methyloxolan-3-yl)sulfanylcyclohexane-1-carboxylic acid
CID 107755289
1-amino-3-(2-methyloxolan-3-yl)sulfanylcyclopentane-1-carboxamide
CID 107755285
3-(4-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide
CID 79635701
3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79641656
3-(3-methylcyclohexyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79633898
3-(2-bromophenyl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide
CID 79635712
1-(ethylamino)-3-propylsulfanylcyclohexane-1-carboxamide
CID 79637143
3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
CID 79653549
3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
3-(dipropylamino)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636670
3-propan-2-ylsulfanyl-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79634817

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide (CID 107755218) is 3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide is CCCNC1(C(N)=O)CCCC(SC2CCOC2C)C1.
What is the InChIKey of 3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide?
The InChIKey is YLKQZUQJRMBPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-3-8-17-15(14(16)18)7-4-5-12(10-15)20-13-6-9-19-11(13)2/h11-13,17H,3-10H2,1-2H3,(H2,16,18).
What are the key properties of 3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide?
3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide has a molecular weight of 300.47 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyloxolan-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 107755218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).