N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide

C9H21NO3S — CID 95633247

IUPACN-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@H](O)[C@H](C)CC
InChIInChI=1S/C9H21NO3S/c1-4-6-14(12,13)10-7-9(11)8(3)5-2/h8-11H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeySDOHGLSUKFFKCF-BDAKNGLRSA-N
MW223.34 g/mol
LogP0.72
Rot. Bonds7

About N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide

N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide (PubChem CID 95633247) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide
PubChem CID95633247
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC[C@H](O)[C@H](C)CC
InChIInChI=1S/C9H21NO3S/c1-4-6-14(12,13)10-7-9(11)8(3)5-2/h8-11H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeySDOHGLSUKFFKCF-BDAKNGLRSA-N
XLogP0.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-3-methylpentyl)-2-methylbutane-1-sulfonamide
CID 111440038
N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide
CID 113317358
N-[2-(methylamino)propyl]propane-1-sulfonamide
CID 103512489
N-(4-chloro-2-methylbutyl)propane-1-sulfonamide
CID 66089022
N-(3-hydroxybutyl)propane-1-sulfonamide
CID 64723570
N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide
CID 56794319
2-methoxy-3-(propylsulfonylamino)propanoic acid
CID 104936724
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580
(2S)-N-[(2R,3S)-2-hydroxy-3-methylpentyl]-2-methylbutanamide
CID 97227824
5-methylheptane-3,4-diol
CID 21486220
3-chloro-N-(3-ethyl-2-hydroxypentyl)-2-methylpropane-1-sulfonamide
CID 106288577

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide?
The IUPAC name of N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide (CID 95633247) is N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide?
The canonical SMILES for N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide is CCCS(=O)(=O)NC[C@H](O)[C@H](C)CC.
What is the InChIKey of N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide?
The InChIKey is SDOHGLSUKFFKCF-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-4-6-14(12,13)10-7-9(11)8(3)5-2/h8-11H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide?
N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide is sourced from PubChem (CID 95633247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).