(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide

C14H22N2OS — CID 119332541

IUPAC(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide
SMILESC[C@@H](N)C(=O)NCC1(c2cccs2)CCCCC1
InChIInChI=1S/C14H22N2OS/c1-11(15)13(17)16-10-14(7-3-2-4-8-14)12-6-5-9-18-12/h5-6,9,11H,2-4,7-8,10,15H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyPBVJHIMCJFETHD-LLVKDONJSA-N
MW266.41 g/mol
LogP2.41
Rot. Bonds4

About (2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide

(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide (PubChem CID 119332541) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide
PubChem CID119332541
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide
SMILESC[C@@H](N)C(=O)NCC1(c2cccs2)CCCCC1
InChIInChI=1S/C14H22N2OS/c1-11(15)13(17)16-10-14(7-3-2-4-8-14)12-6-5-9-18-12/h5-6,9,11H,2-4,7-8,10,15H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyPBVJHIMCJFETHD-LLVKDONJSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
2-amino-2-(oxan-4-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide
CID 120794568
N-[(1-thiophen-2-ylcycloheptyl)methyl]propan-2-amine
CID 55095998
methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate
CID 30522713
(2R)-2-amino-N-[[1-(4-propan-2-ylphenyl)cyclopentyl]methyl]propanamide
CID 119321524
3-[[N'-methyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111637297
1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea
CID 111440825
4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide
CID 119332535
(2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119312905
1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
CID 30522444
(2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide
CID 95156564
7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride
CID 119799163

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide (CID 119332541) is (2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide is C[C@@H](N)C(=O)NCC1(c2cccs2)CCCCC1.
What is the InChIKey of (2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide?
The InChIKey is PBVJHIMCJFETHD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(15)13(17)16-10-14(7-3-2-4-8-14)12-6-5-9-18-12/h5-6,9,11H,2-4,7-8,10,15H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide?
(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide has a molecular weight of 266.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 119332541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).