2-propylpentyl sulfamate

C8H19NO3S — CID 71718858

IUPAC2-propylpentyl sulfamate
SMILESCCCC(CCC)COS(N)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-3-5-8(6-4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
InChIKeyFPKSHVRFEGQGCR-UHFFFAOYSA-N
MW209.31 g/mol
LogP1.42
Rot. Bonds7

About 2-propylpentyl sulfamate

2-propylpentyl sulfamate (PubChem CID 71718858) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-propylpentyl sulfamate.

Molecular Properties

Compound Name2-propylpentyl sulfamate
PubChem CID71718858
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name2-propylpentyl sulfamate
SMILESCCCC(CCC)COS(N)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-3-5-8(6-4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
InChIKeyFPKSHVRFEGQGCR-UHFFFAOYSA-N
XLogP1.42
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylpentyl methanesulfonate
CID 87281207
2-methylpropyl sulfamate
CID 10219546
2-hydroxybutyl sulfamate
CID 119095429
2-propylpentyl benzenesulfonate
CID 88768227
2-octyldodecyl methanesulfonate
CID 19905964
2-ethylhexyl 1-aminoethanesulfonate
CID 174411439
1,4-dioxo-1,4-bis(2-propylpentoxy)butane-2-sulfonic acid
CID 57264581
2-decylhenicosyl hydrogen sulfate
CID 101287509
[(2R)-2-ethylhexyl] hydrogen sulfate
CID 5496779
2-heptadecyltetracosyl hydrogen sulfate
CID 101289299
2-hexadecyltricosyl hydrogen sulfate
CID 101289271
2-octyltricosyl hydrogen sulfate
CID 101287411

Frequently Asked Questions

What is the IUPAC name of 2-propylpentyl sulfamate?
The IUPAC name of 2-propylpentyl sulfamate (CID 71718858) is 2-propylpentyl sulfamate.
What is the SMILES notation for 2-propylpentyl sulfamate?
The canonical SMILES for 2-propylpentyl sulfamate is CCCC(CCC)COS(N)(=O)=O.
What is the InChIKey of 2-propylpentyl sulfamate?
The InChIKey is FPKSHVRFEGQGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-3-5-8(6-4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11).
What are the key properties of 2-propylpentyl sulfamate?
2-propylpentyl sulfamate has a molecular weight of 209.31 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpentyl sulfamate is sourced from PubChem (CID 71718858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).