N-(7-aminododecan-6-yl)-1-phenylmethanesulfonamide

C19H34N2O2S — CID 162374202

IUPACN-(7-aminododecan-6-yl)-1-phenylmethanesulfonamide
SMILESCCCCCC(N)C(CCCCC)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H34N2O2S/c1-3-5-8-14-18(20)19(15-9-6-4-2)21-24(22,23)16-17-12-10-7-11-13-17/h7,10-13,18-19,21H,3-6,8-9,14-16,20H2,1-2H3
InChIKeyRUPDVAGWOJAHDV-UHFFFAOYSA-N
MW354.56 g/mol
LogP3.96
Rot. Bonds13

About N-(7-aminododecan-6-yl)-1-phenylmethanesulfonamide

N-(7-aminododecan-6-yl)-1-phenylmethanesulfonamide (PubChem CID 162374202) has the molecular formula C19H34N2O2S and a molecular weight of 354.56 g/mol. Its IUPAC name is N-(7-aminododecan-6-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(7-aminododecan-6-yl)-1-phenylmethanesulfonamide
PubChem CID162374202
Molecular FormulaC19H34N2O2S
Molecular Weight354.56 g/mol
Exact Mass354.23
IUPAC NameN-(7-aminododecan-6-yl)-1-phenylmethanesulfonamide
SMILESCCCCCC(N)C(CCCCC)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C19H34N2O2S/c1-3-5-8-14-18(20)19(15-9-6-4-2)21-24(22,23)16-17-12-10-7-11-13-17/h7,10-13,18-19,21H,3-6,8-9,14-16,20H2,1-2H3
InChIKeyRUPDVAGWOJAHDV-UHFFFAOYSA-N
XLogP3.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 53.96
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

ethyl 2-(benzylsulfonylamino)propanoate
CID 61235781
N-octadecyl-1-phenylmethanesulfonamide
CID 139636949
butyl (2S)-2-(benzylsulfonylamino)-4-iodobutanoate
CID 139801299
hexan-2-ylsulfonylmethylbenzene
CID 155261825
1,1-diphenylheptan-2-amine;hydrate
CID 173442268
octadecan-8-yl phenylmethanesulfonate
CID 141185231
1,1-diphenylnonan-2-amine;hydrate
CID 173441575
1,1-diphenylnonadecan-2-amine;hydrate
CID 173441506
3-(heptan-2-ylsulfamoylmethyl)benzenecarbothioamide
CID 61467887
octan-2-amine;phenylmethanamine
CID 67561022
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
N-(3-octoxypropyl)-1-phenylmethanesulfonamide
CID 19014106

Frequently Asked Questions

What is the IUPAC name of N-(7-aminododecan-6-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(7-aminododecan-6-yl)-1-phenylmethanesulfonamide (CID 162374202) is N-(7-aminododecan-6-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(7-aminododecan-6-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(7-aminododecan-6-yl)-1-phenylmethanesulfonamide is CCCCCC(N)C(CCCCC)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(7-aminododecan-6-yl)-1-phenylmethanesulfonamide?
The InChIKey is RUPDVAGWOJAHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2S/c1-3-5-8-14-18(20)19(15-9-6-4-2)21-24(22,23)16-17-12-10-7-11-13-17/h7,10-13,18-19,21H,3-6,8-9,14-16,20H2,1-2H3.
What are the key properties of N-(7-aminododecan-6-yl)-1-phenylmethanesulfonamide?
N-(7-aminododecan-6-yl)-1-phenylmethanesulfonamide has a molecular weight of 354.56 g/mol, XLogP of 3.96, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-aminododecan-6-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 162374202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).