9-amino-1-phenylmethoxynonane-1-sulfonamide

C16H28N2O3S — CID 90758630

IUPAC9-amino-1-phenylmethoxynonane-1-sulfonamide
SMILESNCCCCCCCCC(OCc1ccccc1)S(N)(=O)=O
InChIInChI=1S/C16H28N2O3S/c17-13-9-4-2-1-3-8-12-16(22(18,19)20)21-14-15-10-6-5-7-11-15/h5-7,10-11,16H,1-4,8-9,12-14,17H2,(H2,18,19,20)
InChIKeyMBLSYXKRUXWQOY-UHFFFAOYSA-N
MW328.48 g/mol
LogP2.51
Rot. Bonds12

About 9-amino-1-phenylmethoxynonane-1-sulfonamide

9-amino-1-phenylmethoxynonane-1-sulfonamide (PubChem CID 90758630) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is 9-amino-1-phenylmethoxynonane-1-sulfonamide.

Molecular Properties

Compound Name9-amino-1-phenylmethoxynonane-1-sulfonamide
PubChem CID90758630
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC Name9-amino-1-phenylmethoxynonane-1-sulfonamide
SMILESNCCCCCCCCC(OCc1ccccc1)S(N)(=O)=O
InChIInChI=1S/C16H28N2O3S/c17-13-9-4-2-1-3-8-12-16(22(18,19)20)21-14-15-10-6-5-7-11-15/h5-7,10-11,16H,1-4,8-9,12-14,17H2,(H2,18,19,20)
InChIKeyMBLSYXKRUXWQOY-UHFFFAOYSA-N
XLogP2.51
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-1-(8-phenylmethoxy-8-sulfamoyloctan-2-yl)-1-pyridin-4-ylguanidine
CID 91448499
benzyl 2,6-diaminohexanoate;hydrochloride
CID 67841130
16-phenyl-14-(2-phenylethyl)hexadecan-1-amine
CID 139723789
1,6-diaminohexyl benzenesulfonate
CID 174863758
benzyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoate
CID 7408212
8-amino-2-[(2-hydroxyphenyl)methyl]octanoic acid
CID 174936072
benzyl 6-aminohexanoate;hydrochloride
CID 67401791
benzyl 6-amino-2-(2,6-diaminohexanoylamino)hexanoate
CID 57051472
benzyl N-[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamate
CID 7020264
18-benzhydryl-19,19-diphenylnonadecan-1-amine
CID 139723589
8-benzhydryl-9,9-diphenylnonan-1-amine
CID 139723946
12-benzhydryl-13,13-diphenyltridecan-1-amine
CID 139723736

Frequently Asked Questions

What is the IUPAC name of 9-amino-1-phenylmethoxynonane-1-sulfonamide?
The IUPAC name of 9-amino-1-phenylmethoxynonane-1-sulfonamide (CID 90758630) is 9-amino-1-phenylmethoxynonane-1-sulfonamide.
What is the SMILES notation for 9-amino-1-phenylmethoxynonane-1-sulfonamide?
The canonical SMILES for 9-amino-1-phenylmethoxynonane-1-sulfonamide is NCCCCCCCCC(OCc1ccccc1)S(N)(=O)=O.
What is the InChIKey of 9-amino-1-phenylmethoxynonane-1-sulfonamide?
The InChIKey is MBLSYXKRUXWQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c17-13-9-4-2-1-3-8-12-16(22(18,19)20)21-14-15-10-6-5-7-11-15/h5-7,10-11,16H,1-4,8-9,12-14,17H2,(H2,18,19,20).
What are the key properties of 9-amino-1-phenylmethoxynonane-1-sulfonamide?
9-amino-1-phenylmethoxynonane-1-sulfonamide has a molecular weight of 328.48 g/mol, XLogP of 2.51, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-1-phenylmethoxynonane-1-sulfonamide is sourced from PubChem (CID 90758630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).