3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide

C9H18N2O2S — CID 115739203

IUPAC3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
SMILESCS(=O)CCNC(=O)C1CCC(N)C1
InChIInChI=1S/C9H18N2O2S/c1-14(13)5-4-11-9(12)7-2-3-8(10)6-7/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyXSVAKUXMXBSOJT-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.39
Rot. Bonds4

About 3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide

3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide (PubChem CID 115739203) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
PubChem CID115739203
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
SMILESCS(=O)CCNC(=O)C1CCC(N)C1
InChIInChI=1S/C9H18N2O2S/c1-14(13)5-4-11-9(12)7-2-3-8(10)6-7/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyXSVAKUXMXBSOJT-UHFFFAOYSA-N
XLogP-0.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-aminocyclopentanecarbonyl)amino]propanoic acid
CID 66009608
3-amino-N-(2-cyclopentylethyl)cyclopentane-1-carboxamide
CID 66010406
3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993
3-amino-N-[2-(2-methoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 66009424
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850859
3-amino-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119687746
3-amino-N-(cyanomethyl)cyclopentane-1-carboxamide
CID 66009213
3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
CID 106212981
3-amino-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119745932
3-amino-N-(2-hydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66009656
3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide
CID 66009224
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide (CID 115739203) is 3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide is CS(=O)CCNC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide?
The InChIKey is XSVAKUXMXBSOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-14(13)5-4-11-9(12)7-2-3-8(10)6-7/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide?
3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide has a molecular weight of 218.32 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 115739203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).