N-(3-aminopropyl)methanesulfonamide

C4H12N2O2S — CID 18350602

IUPACN-(3-aminopropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCN
InChIInChI=1S/C4H12N2O2S/c1-9(7,8)6-4-2-3-5/h6H,2-5H2,1H3
InChIKeyVFSHLEHNCCVYOM-UHFFFAOYSA-N
MW152.22 g/mol
LogP-1.12
Rot. Bonds4

About N-(3-aminopropyl)methanesulfonamide

N-(3-aminopropyl)methanesulfonamide (PubChem CID 18350602) has the molecular formula C4H12N2O2S and a molecular weight of 152.22 g/mol. Its IUPAC name is N-(3-aminopropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)methanesulfonamide
PubChem CID18350602
Molecular FormulaC4H12N2O2S
Molecular Weight152.22 g/mol
Exact Mass152.06
IUPAC NameN-(3-aminopropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCN
InChIInChI=1S/C4H12N2O2S/c1-9(7,8)6-4-2-3-5/h6H,2-5H2,1H3
InChIKeyVFSHLEHNCCVYOM-UHFFFAOYSA-N
XLogP-1.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 5-1.12
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

N-(2-aminoethyl)methanesulfonamide
CID 158725113
N-(2-aminoethyl)methanesulfonamide;hydrochloride
CID 22609809
N-(3-aminopropyl)methanesulfonamide;tert-butyl N-[3-(methanesulfonamido)propyl]carbamate
CID 157413343
methane;N-[3-(methylamino)propyl]methanesulfonamide
CID 157130304
butane-1,4-diamine;methanesulfonic acid
CID 160759082
N-(5-amino-2,2-dimethylpentyl)methanesulfonamide
CID 106141702
3-(methanesulfonamido)propylthiourea
CID 106335651
N-(5-bromopentyl)methanesulfonamide
CID 107323102
N-(4,4-dimethylpentyl)methanesulfonamide
CID 20776366
N-(5-chloropentyl)methanesulfonamide
CID 107322792
N-(5-iodopentyl)methanesulfonamide
CID 107322901
N-(3-aminopropyl)-1,1,1-trichloromethanesulfonamide
CID 54445984

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)methanesulfonamide?
The IUPAC name of N-(3-aminopropyl)methanesulfonamide (CID 18350602) is N-(3-aminopropyl)methanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)methanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)methanesulfonamide is CS(=O)(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)methanesulfonamide?
The InChIKey is VFSHLEHNCCVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S/c1-9(7,8)6-4-2-3-5/h6H,2-5H2,1H3.
What are the key properties of N-(3-aminopropyl)methanesulfonamide?
N-(3-aminopropyl)methanesulfonamide has a molecular weight of 152.22 g/mol, XLogP of -1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)methanesulfonamide is sourced from PubChem (CID 18350602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).