N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide

C10H22N2O2S — CID 103096884

IUPACN-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCC1CCC1
InChIInChI=1S/C10H22N2O2S/c1-2-6-11-7-8-15(13,14)12-9-10-4-3-5-10/h10-12H,2-9H2,1H3
InChIKeyMEIVGPZBSMJPBF-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.71
Rot. Bonds8

About N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide

N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide (PubChem CID 103096884) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide
PubChem CID103096884
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCC1CCC1
InChIInChI=1S/C10H22N2O2S/c1-2-6-11-7-8-15(13,14)12-9-10-4-3-5-10/h10-12H,2-9H2,1H3
InChIKeyMEIVGPZBSMJPBF-UHFFFAOYSA-N
XLogP0.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.71
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-(cyclohexylmethyl)-4-(propylamino)butane-1-sulfonamide
CID 106028001
N-[(4-ethylcyclohexyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106012793
N-(cyclohexylmethyl)-3-(ethylamino)propane-1-sulfonamide
CID 106027864
2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]-2-methylpentanamide
CID 119782577
N-(cyclohexylmethyl)ethanesulfonamide
CID 6466313
N-[(3-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 103697688
2-cyclopentyl-N-propylethanesulfonamide
CID 91196962
N-(3-propoxypropyl)-2-(propylamino)ethanesulfonamide
CID 106074238
3-(cyclobutylmethylsulfamoyl)propanoic acid
CID 43298604
2-amino-N-[2-(cyclobutylmethylsulfamoyl)ethyl]acetamide;hydrochloride
CID 119322955
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
CID 62559758
N-(2-cyclopentylethyl)propane-1-sulfonamide
CID 61383726

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide (CID 103096884) is N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide is CCCNCCS(=O)(=O)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide?
The InChIKey is MEIVGPZBSMJPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-2-6-11-7-8-15(13,14)12-9-10-4-3-5-10/h10-12H,2-9H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide?
N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-(propylamino)ethanesulfonamide is sourced from PubChem (CID 103096884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).