1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide

C17H24N2OS — CID 119323193

IUPAC1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCC2(Sc3ccccc3)CC2)CCCCC1
InChIInChI=1S/C17H24N2OS/c18-17(9-5-2-6-10-17)15(20)19-13-16(11-12-16)21-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13,18H2,(H,19,20)
InChIKeyYKXMNFGUZBPAQR-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.09
Rot. Bonds5

About 1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide

1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide (PubChem CID 119323193) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide
PubChem CID119323193
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCC2(Sc3ccccc3)CC2)CCCCC1
InChIInChI=1S/C17H24N2OS/c18-17(9-5-2-6-10-17)15(20)19-13-16(11-12-16)21-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13,18H2,(H,19,20)
InChIKeyYKXMNFGUZBPAQR-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 119323183
1-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782632
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 111618857
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide
CID 119323030
4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119323040
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride
CID 119323029
4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119782643
2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride
CID 119782892
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343
1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 119345267
3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide
CID 119782649
2-amino-3-methoxy-N-[(1-phenylsulfanylcyclopentyl)methyl]propanamide
CID 120989523

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide (CID 119323193) is 1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide is NC1(C(=O)NCC2(Sc3ccccc3)CC2)CCCCC1.
What is the InChIKey of 1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is YKXMNFGUZBPAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c18-17(9-5-2-6-10-17)15(20)19-13-16(11-12-16)21-14-7-3-1-4-8-14/h1,3-4,7-8H,2,5-6,9-13,18H2,(H,19,20).
What are the key properties of 1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide?
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119323193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).