N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide

C14H30N2O2S — CID 106028001

IUPACN-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C14H30N2O2S/c1-2-10-15-11-6-7-12-19(17,18)16-13-14-8-4-3-5-9-14/h14-16H,2-13H2,1H3
InChIKeyCBNCAOJAQRJUIH-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.27
Rot. Bonds10

About N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide

N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide (PubChem CID 106028001) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide
PubChem CID106028001
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide
SMILESCCCNCCCCS(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C14H30N2O2S/c1-2-10-15-11-6-7-12-19(17,18)16-13-14-8-4-3-5-9-14/h14-16H,2-13H2,1H3
InChIKeyCBNCAOJAQRJUIH-UHFFFAOYSA-N
XLogP2.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.27
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-[(4-ethylcyclohexyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106012793
N-(cyclohexylmethyl)-3-(ethylamino)propane-1-sulfonamide
CID 106027864
N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide
CID 103096884
N-[(1-methylpyrrolidin-2-yl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106094851
N-(cyclohexylmethyl)ethanesulfonamide
CID 6466313
N-(2-cyclobutylethyl)-4-(ethylamino)butane-1-sulfonamide
CID 113479488
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
CID 62559758
N-(2,2-dimethylbutyl)-4-(propylamino)butane-1-sulfonamide
CID 103466329
N'-(4-cycloheptylbutyl)-N-propylpropane-1,3-diamine
CID 91402208
N-(2-methylcyclopentyl)-4-(propylamino)butane-1-sulfonamide
CID 106064340
N-[3-(2-methoxyethoxy)propyl]-4-(propylamino)butane-1-sulfonamide
CID 106001805
3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide
CID 106016480

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide (CID 106028001) is N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide is CCCNCCCCS(=O)(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide?
The InChIKey is CBNCAOJAQRJUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-2-10-15-11-6-7-12-19(17,18)16-13-14-8-4-3-5-9-14/h14-16H,2-13H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide?
N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide has a molecular weight of 290.47 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide is sourced from PubChem (CID 106028001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).