N-[3-(pentylamino)propyl]methanesulfonamide

C9H22N2O2S — CID 106333021

IUPACN-[3-(pentylamino)propyl]methanesulfonamide
SMILESCCCCCNCCCNS(C)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-3-4-5-7-10-8-6-9-11-14(2,12)13/h10-11H,3-9H2,1-2H3
InChIKeyIBDSKDOIYDKYSV-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.71
Rot. Bonds9

About N-[3-(pentylamino)propyl]methanesulfonamide

N-[3-(pentylamino)propyl]methanesulfonamide (PubChem CID 106333021) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-[3-(pentylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(pentylamino)propyl]methanesulfonamide
PubChem CID106333021
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-[3-(pentylamino)propyl]methanesulfonamide
SMILESCCCCCNCCCNS(C)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-3-4-5-7-10-8-6-9-11-14(2,12)13/h10-11H,3-9H2,1-2H3
InChIKeyIBDSKDOIYDKYSV-UHFFFAOYSA-N
XLogP0.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptadecan-9-yl 8-[3-(methanesulfonamido)propylamino]octanoate
CID 164552008
N,N'-dihexadecylmethanedisulfonamide
CID 140586841
N-(2-methylsulfonylethyl)nonan-1-amine
CID 60918921
4-[3-(methanesulfonamido)propylamino]butanoic acid
CID 106336425
N-[3-(4,4,4-trifluorobutylamino)propyl]methanesulfonamide
CID 106336415
butyl 2-[3-(methanesulfonamido)propylamino]acetate
CID 106336288
octane;N-octylnonan-1-amine
CID 145152206
N-hexyltridecan-1-amine
CID 87659278
N-pentylpentan-1-amine;hydrochloride
CID 520044
N-pentylpentan-1-amine;sulfane
CID 173223078
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161

Frequently Asked Questions

What is the IUPAC name of N-[3-(pentylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(pentylamino)propyl]methanesulfonamide (CID 106333021) is N-[3-(pentylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(pentylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(pentylamino)propyl]methanesulfonamide is CCCCCNCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-(pentylamino)propyl]methanesulfonamide?
The InChIKey is IBDSKDOIYDKYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-3-4-5-7-10-8-6-9-11-14(2,12)13/h10-11H,3-9H2,1-2H3.
What are the key properties of N-[3-(pentylamino)propyl]methanesulfonamide?
N-[3-(pentylamino)propyl]methanesulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pentylamino)propyl]methanesulfonamide is sourced from PubChem (CID 106333021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).