(2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide

C6H13NO3S — CID 130367158

IUPAC(2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide
SMILESC=CC[C@@H](O)[C@@H](C)S(N)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-3-4-6(8)5(2)11(7,9)10/h3,5-6,8H,1,4H2,2H3,(H2,7,9,10)/t5-,6-/m1/s1
InChIKeyDNRNZZMXCQNNOX-PHDIDXHHSA-N
MW179.24 g/mol
LogP-0.40
Rot. Bonds4

About (2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide

(2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide (PubChem CID 130367158) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is (2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide.

Molecular Properties

Compound Name(2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide
PubChem CID130367158
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name(2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide
SMILESC=CC[C@@H](O)[C@@H](C)S(N)(=O)=O
InChIInChI=1S/C6H13NO3S/c1-3-4-6(8)5(2)11(7,9)10/h3,5-6,8H,1,4H2,2H3,(H2,7,9,10)/t5-,6-/m1/s1
InChIKeyDNRNZZMXCQNNOX-PHDIDXHHSA-N
XLogP-0.40
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide
CID 166830456
(2R,3R,5R)-5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide
CID 130367538
(2S,3R,5R)-5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide
CID 130367620
5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide
CID 166665239
2-methylhex-5-ene-3-sulfonamide
CID 130367234
(3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide
CID 118903407
3-methylhept-6-ene-2,4-diol
CID 66895376
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
hex-5-ene-3-sulfonamide
CID 118903567
3-hydroxy-2-methylhex-5-enoic acid
CID 174792452
pent-4-en-2-ol;urea
CID 88650571
(4R,5R)-5-methyloct-7-ene-4-sulfonamide
CID 118903706

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide?
The IUPAC name of (2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide (CID 130367158) is (2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide.
What is the SMILES notation for (2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide?
The canonical SMILES for (2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide is C=CC[C@@H](O)[C@@H](C)S(N)(=O)=O.
What is the InChIKey of (2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide?
The InChIKey is DNRNZZMXCQNNOX-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-3-4-6(8)5(2)11(7,9)10/h3,5-6,8H,1,4H2,2H3,(H2,7,9,10)/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide?
(2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide has a molecular weight of 179.24 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide is sourced from PubChem (CID 130367158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).