3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide

C12H22N2OS — CID 80584681

IUPAC3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC2CCCS2)C1
InChIInChI=1S/C12H22N2OS/c13-10-4-1-3-9(7-10)12(15)14-8-11-5-2-6-16-11/h9-11H,1-8,13H2,(H,14,15)
InChIKeyWOMYNSXCNOLVIP-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.52
Rot. Bonds3

About 3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide

3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 80584681) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID80584681
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC2CCCS2)C1
InChIInChI=1S/C12H22N2OS/c13-10-4-1-3-9(7-10)12(15)14-8-11-5-2-6-16-11/h9-11H,1-8,13H2,(H,14,15)
InChIKeyWOMYNSXCNOLVIP-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66005543
2-amino-N-(thiolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119790659
2-methyl-N-(thiolan-2-ylmethyl)piperidine-4-carboxamide
CID 106740363
3-amino-N-[(4-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 106135746
3-amino-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 122080350
(3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide
CID 81135090
3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 104530465
[(2S)-thiolan-2-yl]methylthiourea
CID 129372069
N-(1-adamantylmethyl)-3-aminocyclohexane-1-carboxamide
CID 63047139
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide (CID 80584681) is 3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCC2CCCS2)C1.
What is the InChIKey of 3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is WOMYNSXCNOLVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c13-10-4-1-3-9(7-10)12(15)14-8-11-5-2-6-16-11/h9-11H,1-8,13H2,(H,14,15).
What are the key properties of 3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide?
3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(thiolan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 80584681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).