1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide

C14H26N2OS — CID 114116201

IUPAC1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide
SMILESCSC1(CNC(=O)C2(CN)CCC2)CCCCC1
InChIInChI=1S/C14H26N2OS/c1-18-14(8-3-2-4-9-14)11-16-12(17)13(10-15)6-5-7-13/h2-11,15H2,1H3,(H,16,17)
InChIKeyLFCXJGDJJTYSMQ-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.30
Rot. Bonds5

About 1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide (PubChem CID 114116201) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide
PubChem CID114116201
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide
SMILESCSC1(CNC(=O)C2(CN)CCC2)CCCCC1
InChIInChI=1S/C14H26N2OS/c1-18-14(8-3-2-4-9-14)11-16-12(17)13(10-15)6-5-7-13/h2-11,15H2,1H3,(H,16,17)
InChIKeyLFCXJGDJJTYSMQ-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]cyclohexane-1-carboxamide
CID 105415997
1-[(1-methylsulfanylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 114117430
1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide
CID 107299347
1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide
CID 103966787
1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450646
2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid
CID 115444268
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
1-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 103813043
1-(aminomethyl)-N-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide
CID 113309913
ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate
CID 107299283
1-(aminomethyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119830079
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid
CID 115437637

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide (CID 114116201) is 1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide is CSC1(CNC(=O)C2(CN)CCC2)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is LFCXJGDJJTYSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-18-14(8-3-2-4-9-14)11-16-12(17)13(10-15)6-5-7-13/h2-11,15H2,1H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 270.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 114116201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).