N-[(2S)-2-amino-3-methylpentyl]methanesulfonamide

C7H18N2O2S — CID 87560305

IUPACN-[(2S)-2-amino-3-methylpentyl]methanesulfonamide
SMILESCCC(C)[C@H](N)CNS(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-4-6(2)7(8)5-9-12(3,10)11/h6-7,9H,4-5,8H2,1-3H3/t6?,7-/m1/s1
InChIKeyJSLXPQUTDIEPMI-COBSHVIPSA-N
MW194.30 g/mol
LogP-0.09
Rot. Bonds5

About N-[(2S)-2-amino-3-methylpentyl]methanesulfonamide

N-[(2S)-2-amino-3-methylpentyl]methanesulfonamide (PubChem CID 87560305) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-methylpentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3-methylpentyl]methanesulfonamide
PubChem CID87560305
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC NameN-[(2S)-2-amino-3-methylpentyl]methanesulfonamide
SMILESCCC(C)[C@H](N)CNS(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-4-6(2)7(8)5-9-12(3,10)11/h6-7,9H,4-5,8H2,1-3H3/t6?,7-/m1/s1
InChIKeyJSLXPQUTDIEPMI-COBSHVIPSA-N
XLogP-0.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3-methylpentyl]methanesulfonamide?
The IUPAC name of N-[(2S)-2-amino-3-methylpentyl]methanesulfonamide (CID 87560305) is N-[(2S)-2-amino-3-methylpentyl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-2-amino-3-methylpentyl]methanesulfonamide?
The canonical SMILES for N-[(2S)-2-amino-3-methylpentyl]methanesulfonamide is CCC(C)[C@H](N)CNS(C)(=O)=O.
What is the InChIKey of N-[(2S)-2-amino-3-methylpentyl]methanesulfonamide?
The InChIKey is JSLXPQUTDIEPMI-COBSHVIPSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-4-6(2)7(8)5-9-12(3,10)11/h6-7,9H,4-5,8H2,1-3H3/t6?,7-/m1/s1.
What are the key properties of N-[(2S)-2-amino-3-methylpentyl]methanesulfonamide?
N-[(2S)-2-amino-3-methylpentyl]methanesulfonamide has a molecular weight of 194.30 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3-methylpentyl]methanesulfonamide is sourced from PubChem (CID 87560305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).