(4S)-4-hydroxypentane-2-sulfonamide

C5H13NO3S — CID 172784459

IUPAC(4S)-4-hydroxypentane-2-sulfonamide
SMILESCC(C[C@H](C)O)S(N)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-4(7)3-5(2)10(6,8)9/h4-5,7H,3H2,1-2H3,(H2,6,8,9)/t4-,5?/m0/s1
InChIKeyORVUEWVVEHZTFX-ROLXFIACSA-N
MW167.23 g/mol
LogP-0.57
Rot. Bonds3

About (4S)-4-hydroxypentane-2-sulfonamide

(4S)-4-hydroxypentane-2-sulfonamide (PubChem CID 172784459) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is (4S)-4-hydroxypentane-2-sulfonamide.

Molecular Properties

Compound Name(4S)-4-hydroxypentane-2-sulfonamide
PubChem CID172784459
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Name(4S)-4-hydroxypentane-2-sulfonamide
SMILESCC(C[C@H](C)O)S(N)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-4(7)3-5(2)10(6,8)9/h4-5,7H,3H2,1-2H3,(H2,6,8,9)/t4-,5?/m0/s1
InChIKeyORVUEWVVEHZTFX-ROLXFIACSA-N
XLogP-0.57
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxybutane-1-sulfonamide
CID 21436386
1-Hydroxypropane-2-sulfonamide
CID 65744038
(2S)-1-hydroxypropane-2-sulfonamide
CID 165980565
2,4-Dihydroxypentane-1-sulfonate
CID 139244600
2-Hydroxypentane-1-sulfonyl fluoride
CID 115013719
2-Hydroxypropane-1-sulfonamide
CID 13301334
4-Hydroxypentane-1-sulfonamide
CID 18467557
3-Hydroxypentane-1-sulfonamide
CID 18467613
2-Hydroxypentane-1-sulfonamide
CID 18467624
4-Hydroxypentane-1-sulfonic acid
CID 21225573
2-Hydroxypentane-1-sulfonic acid
CID 21225575
4-Hydroxypentane-2-sulfonic acid
CID 21535960

Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxypentane-2-sulfonamide?
The IUPAC name of (4S)-4-hydroxypentane-2-sulfonamide (CID 172784459) is (4S)-4-hydroxypentane-2-sulfonamide.
What is the SMILES notation for (4S)-4-hydroxypentane-2-sulfonamide?
The canonical SMILES for (4S)-4-hydroxypentane-2-sulfonamide is CC(C[C@H](C)O)S(N)(=O)=O.
What is the InChIKey of (4S)-4-hydroxypentane-2-sulfonamide?
The InChIKey is ORVUEWVVEHZTFX-ROLXFIACSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-4(7)3-5(2)10(6,8)9/h4-5,7H,3H2,1-2H3,(H2,6,8,9)/t4-,5?/m0/s1.
What are the key properties of (4S)-4-hydroxypentane-2-sulfonamide?
(4S)-4-hydroxypentane-2-sulfonamide has a molecular weight of 167.23 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxypentane-2-sulfonamide is sourced from PubChem (CID 172784459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).