1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide

C9H18N2O3S — CID 80587484

IUPAC1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)C1(CN)CC1
InChIInChI=1S/C9H18N2O3S/c1-15(13,14)6-2-5-11-8(12)9(7-10)3-4-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyYEFSRQGVHDKIFA-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.72
Rot. Bonds6

About 1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide (PubChem CID 80587484) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide
PubChem CID80587484
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)C1(CN)CC1
InChIInChI=1S/C9H18N2O3S/c1-15(13,14)6-2-5-11-8(12)9(7-10)3-4-9/h2-7,10H2,1H3,(H,11,12)
InChIKeyYEFSRQGVHDKIFA-UHFFFAOYSA-N
XLogP-0.72
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-(3-methylsulfonylpropyl)cyclopentane-1-carboxamide
CID 61036737
1-(aminomethyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 80587383
1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide
CID 63122628
1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
CID 107317645
1-(aminomethyl)-N-(3-amino-3-oxopropyl)cyclopropane-1-carboxamide
CID 80588317
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
7-amino-N-(3-methylsulfonylpropyl)heptanamide
CID 54904867
1-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclopentane-1-carboxamide
CID 114140196
1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide
CID 115739260
1-(aminomethyl)-N-[3-(cyclopropylmethoxy)propyl]cyclopropane-1-carboxamide
CID 115452262
1-[2-(3-methylsulfonylpropylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 54906188

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide (CID 80587484) is 1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide is CS(=O)(=O)CCCNC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide?
The InChIKey is YEFSRQGVHDKIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-15(13,14)6-2-5-11-8(12)9(7-10)3-4-9/h2-7,10H2,1H3,(H,11,12).
What are the key properties of 1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide has a molecular weight of 234.32 g/mol, XLogP of -0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80587484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).