N-propylsulfamate

C3H8NO3S- — CID 59847915

IUPACN-propylsulfamate
SMILESCCCNS(=O)(=O)[O-]
InChIInChI=1S/C3H9NO3S/c1-2-3-4-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)/p-1
InChIKeyHLIBNTOXKQCYMV-UHFFFAOYSA-M
MW138.17 g/mol
LogP-0.55
Rot. Bonds3

About N-propylsulfamate

N-propylsulfamate (PubChem CID 59847915) has the molecular formula C3H8NO3S- and a molecular weight of 138.17 g/mol. Its IUPAC name is N-propylsulfamate.

Molecular Properties

Compound NameN-propylsulfamate
PubChem CID59847915
Molecular FormulaC3H8NO3S-
Molecular Weight138.17 g/mol
Exact Mass138.02
IUPAC NameN-propylsulfamate
SMILESCCCNS(=O)(=O)[O-]
InChIInChI=1S/C3H9NO3S/c1-2-3-4-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)/p-1
InChIKeyHLIBNTOXKQCYMV-UHFFFAOYSA-M
XLogP-0.55
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Isopropylsulphamoyl chloride
CID 117737
N-butylsulfamide
CID 12355589
N,N''''-Dipropylsulfamide
CID 15729847
Butylsulfamic acid
CID 3628384
Isopropylsulfamic acid
CID 65283
Sulfamoyl azide, propyl-
CID 214663
Ethylsulfamoyl chloride
CID 11040810
N-propylsulfamoyl chloride
CID 13398949
N-(1-Methylethyl)sulfamide
CID 13626285
n-Propylsulfamide
CID 13949558
(Ethylsulfamoyl)amine
CID 21263690
N,N'-Diethylsulfamide
CID 219236

Frequently Asked Questions

What is the IUPAC name of N-propylsulfamate?
The IUPAC name of N-propylsulfamate (CID 59847915) is N-propylsulfamate.
What is the SMILES notation for N-propylsulfamate?
The canonical SMILES for N-propylsulfamate is CCCNS(=O)(=O)[O-].
What is the InChIKey of N-propylsulfamate?
The InChIKey is HLIBNTOXKQCYMV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9NO3S/c1-2-3-4-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)/p-1.
What are the key properties of N-propylsulfamate?
N-propylsulfamate has a molecular weight of 138.17 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylsulfamate is sourced from PubChem (CID 59847915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).