(2-hydroxy-2-phenylbutyl) sulfamate

C10H15NO4S — CID 88672538

IUPAC(2-hydroxy-2-phenylbutyl) sulfamate
SMILESCCC(O)(COS(N)(=O)=O)c1ccccc1
InChIInChI=1S/C10H15NO4S/c1-2-10(12,8-15-16(11,13)14)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3,(H2,11,13,14)
InChIKeyPSKXPNNGFIBRCW-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.50
Rot. Bonds5

About (2-hydroxy-2-phenylbutyl) sulfamate

(2-hydroxy-2-phenylbutyl) sulfamate (PubChem CID 88672538) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is (2-hydroxy-2-phenylbutyl) sulfamate.

Molecular Properties

Compound Name(2-hydroxy-2-phenylbutyl) sulfamate
PubChem CID88672538
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name(2-hydroxy-2-phenylbutyl) sulfamate
SMILESCCC(O)(COS(N)(=O)=O)c1ccccc1
InChIInChI=1S/C10H15NO4S/c1-2-10(12,8-15-16(11,13)14)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3,(H2,11,13,14)
InChIKeyPSKXPNNGFIBRCW-UHFFFAOYSA-N
XLogP0.50
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2-dimethyl-3-phenylpropyl) sulfamate
CID 122528733
6-methylsulfonyl-3-phenylhexan-3-ol
CID 65146576
1-amino-3-phenylpentan-3-ol
CID 79006155
(2S)-1-bromo-2-phenylbutan-2-ol
CID 101213758
N-(2-hydroxy-2-phenylbutyl)-2-methylpropane-2-sulfonamide
CID 102043543
4-hydroxy-1,1,1,4-tetraphenylhexan-2-one
CID 13396368
1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783
(1-ethoxy-1-phenylpropyl)benzene;3-phenylpentan-3-ol
CID 67792118
7,7,7-trifluoro-3-phenylheptan-3-ol
CID 113326695
(2-hydroxy-3-oxo-2,3-diphenylpropyl) methanesulfonate
CID 19776986
2-methylsulfonyl-2-phenylbutanoic acid
CID 177255182
1-methoxy-2-phenylpentan-2-ol
CID 79566426

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-phenylbutyl) sulfamate?
The IUPAC name of (2-hydroxy-2-phenylbutyl) sulfamate (CID 88672538) is (2-hydroxy-2-phenylbutyl) sulfamate.
What is the SMILES notation for (2-hydroxy-2-phenylbutyl) sulfamate?
The canonical SMILES for (2-hydroxy-2-phenylbutyl) sulfamate is CCC(O)(COS(N)(=O)=O)c1ccccc1.
What is the InChIKey of (2-hydroxy-2-phenylbutyl) sulfamate?
The InChIKey is PSKXPNNGFIBRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-2-10(12,8-15-16(11,13)14)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3,(H2,11,13,14).
What are the key properties of (2-hydroxy-2-phenylbutyl) sulfamate?
(2-hydroxy-2-phenylbutyl) sulfamate has a molecular weight of 245.30 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-phenylbutyl) sulfamate is sourced from PubChem (CID 88672538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).