N-propan-2-ylsulfamate

C3H8NO3S- — CID 22141649

IUPACN-propan-2-ylsulfamate
SMILESCC(C)NS(=O)(=O)[O-]
InChIInChI=1S/C3H9NO3S/c1-3(2)4-8(5,6)7/h3-4H,1-2H3,(H,5,6,7)/p-1
InChIKeyJWQSOOZHYMZRBT-UHFFFAOYSA-M
MW138.17 g/mol
LogP-0.56
Rot. Bonds2

About N-propan-2-ylsulfamate

N-propan-2-ylsulfamate (PubChem CID 22141649) has the molecular formula C3H8NO3S- and a molecular weight of 138.17 g/mol. Its IUPAC name is N-propan-2-ylsulfamate.

Molecular Properties

Compound NameN-propan-2-ylsulfamate
PubChem CID22141649
Molecular FormulaC3H8NO3S-
Molecular Weight138.17 g/mol
Exact Mass138.02
IUPAC NameN-propan-2-ylsulfamate
SMILESCC(C)NS(=O)(=O)[O-]
InChIInChI=1S/C3H9NO3S/c1-3(2)4-8(5,6)7/h3-4H,1-2H3,(H,5,6,7)/p-1
InChIKeyJWQSOOZHYMZRBT-UHFFFAOYSA-M
XLogP-0.56
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.56
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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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylsulfamate?
The IUPAC name of N-propan-2-ylsulfamate (CID 22141649) is N-propan-2-ylsulfamate.
What is the SMILES notation for N-propan-2-ylsulfamate?
The canonical SMILES for N-propan-2-ylsulfamate is CC(C)NS(=O)(=O)[O-].
What is the InChIKey of N-propan-2-ylsulfamate?
The InChIKey is JWQSOOZHYMZRBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9NO3S/c1-3(2)4-8(5,6)7/h3-4H,1-2H3,(H,5,6,7)/p-1.
What are the key properties of N-propan-2-ylsulfamate?
N-propan-2-ylsulfamate has a molecular weight of 138.17 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylsulfamate is sourced from PubChem (CID 22141649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).