trans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide

C12H18N2OS — CID 99636903

IUPACtrans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide
SMILESNC(=O)[C@@H]1CCCC[C@H]1NCc1ccsc1
InChIInChI=1S/C12H18N2OS/c13-12(15)10-3-1-2-4-11(10)14-7-9-5-6-16-8-9/h5-6,8,10-11,14H,1-4,7H2,(H2,13,15)/t10-,11-/m1/s1
InChIKeyGIYMRBKWIYQNAF-GHMZBOCLSA-N
MW238.36 g/mol
LogP1.88
Rot. Bonds4

About trans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide

trans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide (PubChem CID 99636903) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide
PubChem CID99636903
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Nametrans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide
SMILESNC(=O)[C@@H]1CCCC[C@H]1NCc1ccsc1
InChIInChI=1S/C12H18N2OS/c13-12(15)10-3-1-2-4-11(10)14-7-9-5-6-16-8-9/h5-6,8,10-11,14H,1-4,7H2,(H2,13,15)/t10-,11-/m1/s1
InChIKeyGIYMRBKWIYQNAF-GHMZBOCLSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide
CID 99586249
2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide
CID 86790349
2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64816561
N-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine
CID 130525428
2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide
CID 115977123
N-(2-hydroxycyclohexyl)-2-thiophen-3-ylacetamide
CID 62359044
cis-(1R,2S)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cycloheptane-1-carboxamide
CID 99854708
trans-(1R,2R)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cycloheptane-1-carboxamide
CID 99854710
cis-benzyl (1S,2R)-2-(benzylamino)cyclopentane-1-carboxylate
CID 101135573
methyl 2-(benzylamino)cyclohexane-1-carboxylate
CID 171324800
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide
CID 86802324
cis-(1S,2R)-2-(benzylamino)cyclohexane-1-carboxylic acid;hydrochloride
CID 131856617

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide (CID 99636903) is trans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide is NC(=O)[C@@H]1CCCC[C@H]1NCc1ccsc1.
What is the InChIKey of trans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide?
The InChIKey is GIYMRBKWIYQNAF-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H18N2OS/c13-12(15)10-3-1-2-4-11(10)14-7-9-5-6-16-8-9/h5-6,8,10-11,14H,1-4,7H2,(H2,13,15)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide?
trans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(thiophen-3-ylmethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 99636903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).