1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide

C10H20N2O3S — CID 103308017

IUPAC1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)C1(CN)CCCC1
InChIInChI=1S/C10H20N2O3S/c1-8(2)16(14,15)12-9(13)10(7-11)5-3-4-6-10/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyYYCPTZJNJMCYSB-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.36
Rot. Bonds4

About 1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide

1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide (PubChem CID 103308017) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide
PubChem CID103308017
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)C1(CN)CCCC1
InChIInChI=1S/C10H20N2O3S/c1-8(2)16(14,15)12-9(13)10(7-11)5-3-4-6-10/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyYYCPTZJNJMCYSB-UHFFFAOYSA-N
XLogP0.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)cyclopentane-1-carboxamide
CID 64631433
2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide
CID 103307783
(2R)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]propanoic acid
CID 115435215
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
1-(aminomethyl)-N-(3-hydroxybutyl)cyclopentane-1-carboxamide
CID 81489303
(2S)-2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 113309472
1-(aminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclohexane-1-carboxamide
CID 115438007
1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide
CID 114140196
1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide
CID 80587125
1-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 94432129
1-(aminomethyl)-N-[2-(2-methylpropanoylamino)ethyl]cyclobutane-1-carboxamide
CID 115448338

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide (CID 103308017) is 1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide is CC(C)S(=O)(=O)NC(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide?
The InChIKey is YYCPTZJNJMCYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8(2)16(14,15)12-9(13)10(7-11)5-3-4-6-10/h8H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of 1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide?
1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 103308017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).