methyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate

C8H19NO5S — CID 175569968

IUPACmethyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate
SMILESCOS(=O)(=O)NCCC(C(C)O)C(C)O
InChIInChI=1S/C8H19NO5S/c1-6(10)8(7(2)11)4-5-9-15(12,13)14-3/h6-11H,4-5H2,1-3H3
InChIKeyRJSOIXXLDODMGS-UHFFFAOYSA-N
MW241.31 g/mol
LogP-0.76
Rot. Bonds7

About methyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate

methyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate (PubChem CID 175569968) has the molecular formula C8H19NO5S and a molecular weight of 241.31 g/mol. Its IUPAC name is methyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate.

Molecular Properties

Compound Namemethyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate
PubChem CID175569968
Molecular FormulaC8H19NO5S
Molecular Weight241.31 g/mol
Exact Mass241.10
IUPAC Namemethyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate
SMILESCOS(=O)(=O)NCCC(C(C)O)C(C)O
InChIInChI=1S/C8H19NO5S/c1-6(10)8(7(2)11)4-5-9-15(12,13)14-3/h6-11H,4-5H2,1-3H3
InChIKeyRJSOIXXLDODMGS-UHFFFAOYSA-N
XLogP-0.76
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 87126561
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CID 87845029
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CID 137386978
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CID 138541536
CID 138541536
CID 139354548
CID 139354548
CID 103657859
CID 103657859
CID 103834316
CID 103834316
CID 103835119
CID 103835119
CID 103835164
CID 103835164
CID 103946771
CID 103946771
CID 106125663
CID 106125663

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate?
The IUPAC name of methyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate (CID 175569968) is methyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate.
What is the SMILES notation for methyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate?
The canonical SMILES for methyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate is COS(=O)(=O)NCCC(C(C)O)C(C)O.
What is the InChIKey of methyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate?
The InChIKey is RJSOIXXLDODMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO5S/c1-6(10)8(7(2)11)4-5-9-15(12,13)14-3/h6-11H,4-5H2,1-3H3.
What are the key properties of methyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate?
methyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate has a molecular weight of 241.31 g/mol, XLogP of -0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-hydroxy-3-(1-hydroxyethyl)pentyl]sulfamate is sourced from PubChem (CID 175569968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).