propyl N-(3-methylbutan-2-yl)sulfamate

C8H19NO3S — CID 135234905

IUPACpropyl N-(3-methylbutan-2-yl)sulfamate
SMILESCCCOS(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C8H19NO3S/c1-5-6-12-13(10,11)9-8(4)7(2)3/h7-9H,5-6H2,1-4H3
InChIKeyAWHRMFKDVHPGSE-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.29
Rot. Bonds6

About propyl N-(3-methylbutan-2-yl)sulfamate

propyl N-(3-methylbutan-2-yl)sulfamate (PubChem CID 135234905) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is propyl N-(3-methylbutan-2-yl)sulfamate.

Molecular Properties

Compound Namepropyl N-(3-methylbutan-2-yl)sulfamate
PubChem CID135234905
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Namepropyl N-(3-methylbutan-2-yl)sulfamate
SMILESCCCOS(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C8H19NO3S/c1-5-6-12-13(10,11)9-8(4)7(2)3/h7-9H,5-6H2,1-4H3
InChIKeyAWHRMFKDVHPGSE-UHFFFAOYSA-N
XLogP1.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl N-(3-methylbutan-2-yl)sulfamate?
The IUPAC name of propyl N-(3-methylbutan-2-yl)sulfamate (CID 135234905) is propyl N-(3-methylbutan-2-yl)sulfamate.
What is the SMILES notation for propyl N-(3-methylbutan-2-yl)sulfamate?
The canonical SMILES for propyl N-(3-methylbutan-2-yl)sulfamate is CCCOS(=O)(=O)NC(C)C(C)C.
What is the InChIKey of propyl N-(3-methylbutan-2-yl)sulfamate?
The InChIKey is AWHRMFKDVHPGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-5-6-12-13(10,11)9-8(4)7(2)3/h7-9H,5-6H2,1-4H3.
What are the key properties of propyl N-(3-methylbutan-2-yl)sulfamate?
propyl N-(3-methylbutan-2-yl)sulfamate has a molecular weight of 209.31 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(3-methylbutan-2-yl)sulfamate is sourced from PubChem (CID 135234905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).