2-methylpropyl sulfamate

C4H11NO3S — CID 10219546

IUPAC2-methylpropyl sulfamate
SMILESCC(C)COS(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-4(2)3-8-9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)
InChIKeyOREDTCNNUVRHNM-UHFFFAOYSA-N
MW153.20 g/mol
LogP-0.14
Rot. Bonds3

About 2-methylpropyl sulfamate

2-methylpropyl sulfamate (PubChem CID 10219546) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is 2-methylpropyl sulfamate.

Molecular Properties

Compound Name2-methylpropyl sulfamate
PubChem CID10219546
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Name2-methylpropyl sulfamate
SMILESCC(C)COS(N)(=O)=O
InChIInChI=1S/C4H11NO3S/c1-4(2)3-8-9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)
InChIKeyOREDTCNNUVRHNM-UHFFFAOYSA-N
XLogP-0.14
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl sulfamate?
The IUPAC name of 2-methylpropyl sulfamate (CID 10219546) is 2-methylpropyl sulfamate.
What is the SMILES notation for 2-methylpropyl sulfamate?
The canonical SMILES for 2-methylpropyl sulfamate is CC(C)COS(N)(=O)=O.
What is the InChIKey of 2-methylpropyl sulfamate?
The InChIKey is OREDTCNNUVRHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-4(2)3-8-9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7).
What are the key properties of 2-methylpropyl sulfamate?
2-methylpropyl sulfamate has a molecular weight of 153.20 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl sulfamate is sourced from PubChem (CID 10219546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).