N-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide

C14H32N2O3S — CID 86168934

IUPACN-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide
SMILESCC(O)CCC(C(C)C)S(=O)(=O)NCCCCCCN
InChIInChI=1S/C14H32N2O3S/c1-12(2)14(9-8-13(3)17)20(18,19)16-11-7-5-4-6-10-15/h12-14,16-17H,4-11,15H2,1-3H3
InChIKeyMXBYZNRGBSKGOG-UHFFFAOYSA-N
MW308.49 g/mol
LogP1.61
Rot. Bonds12

About N-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide

N-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide (PubChem CID 86168934) has the molecular formula C14H32N2O3S and a molecular weight of 308.49 g/mol. Its IUPAC name is N-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide
PubChem CID86168934
Molecular FormulaC14H32N2O3S
Molecular Weight308.49 g/mol
Exact Mass308.21
IUPAC NameN-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide
SMILESCC(O)CCC(C(C)C)S(=O)(=O)NCCCCCCN
InChIInChI=1S/C14H32N2O3S/c1-12(2)14(9-8-13(3)17)20(18,19)16-11-7-5-4-6-10-15/h12-14,16-17H,4-11,15H2,1-3H3
InChIKeyMXBYZNRGBSKGOG-UHFFFAOYSA-N
XLogP1.61
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide
CID 139610234
N'-(propan-2-ylsulfamoyl)pentane-1,5-diamine
CID 114804063
N-(4-aminobutyl)-4-hydroxypentanamide
CID 79203295
butane-1,4-diamine;methanesulfonic acid
CID 160759082
13-aminotridecane-2-sulfonic acid
CID 142636781
N'-(methylsulfamoyl)pentane-1,5-diamine
CID 114804066
(3S)-3-hydroxy-1-(sulfamoylamino)butane
CID 130638479
1-amino-6-(dimethylsulfamoylamino)hexane
CID 107844568
4-aminobutan-2-ol;octan-1-amine
CID 21412295
N-(3-aminopropyl)-1,1-difluoromethanesulfonamide
CID 28606997
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
6-methylheptylsulfamic acid
CID 87283481

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide?
The IUPAC name of N-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide (CID 86168934) is N-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide.
What is the SMILES notation for N-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide?
The canonical SMILES for N-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide is CC(O)CCC(C(C)C)S(=O)(=O)NCCCCCCN.
What is the InChIKey of N-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide?
The InChIKey is MXBYZNRGBSKGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O3S/c1-12(2)14(9-8-13(3)17)20(18,19)16-11-7-5-4-6-10-15/h12-14,16-17H,4-11,15H2,1-3H3.
What are the key properties of N-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide?
N-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide has a molecular weight of 308.49 g/mol, XLogP of 1.61, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-6-hydroxy-2-methylheptane-3-sulfonamide is sourced from PubChem (CID 86168934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).