N-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide

C15H33NO3S — CID 139610234

IUPACN-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide
SMILESCCCCCCCNS(=O)(=O)C(CCC(C)O)C(C)C
InChIInChI=1S/C15H33NO3S/c1-5-6-7-8-9-12-16-20(18,19)15(13(2)3)11-10-14(4)17/h13-17H,5-12H2,1-4H3
InChIKeyAHCKCRHVBCGIEP-UHFFFAOYSA-N
MW307.50 g/mol
LogP3.06
Rot. Bonds12

About N-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide

N-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide (PubChem CID 139610234) has the molecular formula C15H33NO3S and a molecular weight of 307.50 g/mol. Its IUPAC name is N-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide.

Molecular Properties

Compound NameN-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide
PubChem CID139610234
Molecular FormulaC15H33NO3S
Molecular Weight307.50 g/mol
Exact Mass307.22
IUPAC NameN-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide
SMILESCCCCCCCNS(=O)(=O)C(CCC(C)O)C(C)C
InChIInChI=1S/C15H33NO3S/c1-5-6-7-8-9-12-16-20(18,19)15(13(2)3)11-10-14(4)17/h13-17H,5-12H2,1-4H3
InChIKeyAHCKCRHVBCGIEP-UHFFFAOYSA-N
XLogP3.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide
CID 86168934
heptane;propan-2-ol;sulfuric acid
CID 87329461
5-(propylsulfamoylamino)pentan-2-ol
CID 106125663
2-hydroxy-1-(tetradecylamino)propane-1-sulfonic acid
CID 19762070
(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
1-(sulfamoylamino)octane;hydrofluoride
CID 175085495
10-methyltetradecan-2-ol;sulfuric acid
CID 87592713
N,N'-dihexadecylmethanedisulfonamide
CID 140586841

Frequently Asked Questions

What is the IUPAC name of N-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide?
The IUPAC name of N-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide (CID 139610234) is N-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide.
What is the SMILES notation for N-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide?
The canonical SMILES for N-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide is CCCCCCCNS(=O)(=O)C(CCC(C)O)C(C)C.
What is the InChIKey of N-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide?
The InChIKey is AHCKCRHVBCGIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3S/c1-5-6-7-8-9-12-16-20(18,19)15(13(2)3)11-10-14(4)17/h13-17H,5-12H2,1-4H3.
What are the key properties of N-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide?
N-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide has a molecular weight of 307.50 g/mol, XLogP of 3.06, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide is sourced from PubChem (CID 139610234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).