5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide

C10H21NO4S — CID 166665239

IUPAC5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide
SMILESC=CCC(CC(O)CCO)C(C)S(N)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-3-4-9(7-10(13)5-6-12)8(2)16(11,14)15/h3,8-10,12-13H,1,4-7H2,2H3,(H2,11,14,15)
InChIKeyMLSFXVSBHUYSDV-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.01
Rot. Bonds8

About 5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide

5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide (PubChem CID 166665239) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide.

Molecular Properties

Compound Name5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide
PubChem CID166665239
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide
SMILESC=CCC(CC(O)CCO)C(C)S(N)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-3-4-9(7-10(13)5-6-12)8(2)16(11,14)15/h3,8-10,12-13H,1,4-7H2,2H3,(H2,11,14,15)
InChIKeyMLSFXVSBHUYSDV-UHFFFAOYSA-N
XLogP-0.01
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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
(2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide
CID 130367158
hex-5-ene-1,3-diol
CID 15626312
(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide
CID 166830456
3-prop-2-enylhex-5-en-2-amine;sulfur dioxide;sulfuric acid
CID 175053708
4-propan-2-ylhepta-1,6-diene
CID 14140894
2-methylhex-5-ene-3-sulfonamide
CID 130367234
CID 174331944
CID 174331944
(3S,4R)-8-hydroxy-3,4,5-trimethyloctane-2-sulfonamide
CID 137468905
(4R,5R)-5-methyloct-7-ene-4-sulfonamide
CID 118903706
(3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide
CID 118903407

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide?
The IUPAC name of 5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide (CID 166665239) is 5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide.
What is the SMILES notation for 5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide?
The canonical SMILES for 5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide is C=CCC(CC(O)CCO)C(C)S(N)(=O)=O.
What is the InChIKey of 5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide?
The InChIKey is MLSFXVSBHUYSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-3-4-9(7-10(13)5-6-12)8(2)16(11,14)15/h3,8-10,12-13H,1,4-7H2,2H3,(H2,11,14,15).
What are the key properties of 5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide?
5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide has a molecular weight of 251.35 g/mol, XLogP of -0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-prop-2-enylheptane-2-sulfonamide is sourced from PubChem (CID 166665239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).