N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide

C14H19ClN2OS2 — CID 103401768

IUPACN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC(C(N)=S)C2CCCCC2)c1Cl
InChIInChI=1S/C14H19ClN2OS2/c1-8-7-20-12(10(8)15)14(18)17-11(13(16)19)9-5-3-2-4-6-9/h7,9,11H,2-6H2,1H3,(H2,16,19)(H,17,18)
InChIKeyQKQUOVRVALTEFU-UHFFFAOYSA-N
MW330.91 g/mol
LogP3.67
Rot. Bonds4

About N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide (PubChem CID 103401768) has the molecular formula C14H19ClN2OS2 and a molecular weight of 330.91 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide
PubChem CID103401768
Molecular FormulaC14H19ClN2OS2
Molecular Weight330.91 g/mol
Exact Mass330.06
IUPAC NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC(C(N)=S)C2CCCCC2)c1Cl
InChIInChI=1S/C14H19ClN2OS2/c1-8-7-20-12(10(8)15)14(18)17-11(13(16)19)9-5-3-2-4-6-9/h7,9,11H,2-6H2,1H3,(H2,16,19)(H,17,18)
InChIKeyQKQUOVRVALTEFU-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.91
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide;hydrochloride
CID 16194528
3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656
N-{2-[(4-methylcyclohexyl)amino]ethyl}thiophene-2-carboxamide
CID 3156892
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 47102174
3-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 172443869
N-(cyclohexylmethyl)-4,5-dimethylthiophene-3-carboxamide
CID 1245661
N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 719165
2-chloro-N-(2-(dimethylamino)-2-(thiophen-2-yl)ethyl)benzamide
CID 18161738
Methyl 3-[1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 121524084
1-[1-(3-Chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-3-methylurea
CID 137997367
(3-chloro-4-methylthiophen-2-yl)-[(3S)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]methanone
CID 164638882
3-chloro-N-[2-(3-fluoropyrrolidin-1-yl)ethyl]-4-methylthiophene-2-carboxamide
CID 117914770

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide (CID 103401768) is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NC(C(N)=S)C2CCCCC2)c1Cl.
What is the InChIKey of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide?
The InChIKey is QKQUOVRVALTEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS2/c1-8-7-20-12(10(8)15)14(18)17-11(13(16)19)9-5-3-2-4-6-9/h7,9,11H,2-6H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide?
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide has a molecular weight of 330.91 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-chloro-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103401768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).