N-[3-(pentan-2-ylamino)propyl]ethanesulfonamide

C10H24N2O2S — CID 115715062

IUPACN-[3-(pentan-2-ylamino)propyl]ethanesulfonamide
SMILESCCCC(C)NCCCNS(=O)(=O)CC
InChIInChI=1S/C10H24N2O2S/c1-4-7-10(3)11-8-6-9-12-15(13,14)5-2/h10-12H,4-9H2,1-3H3
InChIKeyFDUWDTAITZOJOW-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.09
Rot. Bonds9

About N-[3-(pentan-2-ylamino)propyl]ethanesulfonamide

N-[3-(pentan-2-ylamino)propyl]ethanesulfonamide (PubChem CID 115715062) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-[3-(pentan-2-ylamino)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(pentan-2-ylamino)propyl]ethanesulfonamide
PubChem CID115715062
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN-[3-(pentan-2-ylamino)propyl]ethanesulfonamide
SMILESCCCC(C)NCCCNS(=O)(=O)CC
InChIInChI=1S/C10H24N2O2S/c1-4-7-10(3)11-8-6-9-12-15(13,14)5-2/h10-12H,4-9H2,1-3H3
InChIKeyFDUWDTAITZOJOW-UHFFFAOYSA-N
XLogP1.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.09
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-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide
CID 115713387
N-(3-ethylsulfonylpropyl)pentan-2-amine
CID 65093932
N-(5-methylhexyl)ethanesulfonamide
CID 79002950
N-[2-(butan-2-ylamino)ethyl]ethanesulfonamide
CID 115713390
N-pentan-2-ylheptan-1-amine
CID 43129169
N-[3-(2-methylpropylamino)propyl]ethanesulfonamide
CID 115876188
5-(pentan-2-ylamino)pentan-2-ol
CID 107270408
N-butylundecan-2-amine
CID 90035852
N-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide
CID 115715078
N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide
CID 115889629
N-(3-ethylsulfonylpropyl)heptan-2-amine
CID 65093312
4-bromo-N-butylbutan-2-amine
CID 83187017

Frequently Asked Questions

What is the IUPAC name of N-[3-(pentan-2-ylamino)propyl]ethanesulfonamide?
The IUPAC name of N-[3-(pentan-2-ylamino)propyl]ethanesulfonamide (CID 115715062) is N-[3-(pentan-2-ylamino)propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(pentan-2-ylamino)propyl]ethanesulfonamide?
The canonical SMILES for N-[3-(pentan-2-ylamino)propyl]ethanesulfonamide is CCCC(C)NCCCNS(=O)(=O)CC.
What is the InChIKey of N-[3-(pentan-2-ylamino)propyl]ethanesulfonamide?
The InChIKey is FDUWDTAITZOJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-4-7-10(3)11-8-6-9-12-15(13,14)5-2/h10-12H,4-9H2,1-3H3.
What are the key properties of N-[3-(pentan-2-ylamino)propyl]ethanesulfonamide?
N-[3-(pentan-2-ylamino)propyl]ethanesulfonamide has a molecular weight of 236.38 g/mol, XLogP of 1.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pentan-2-ylamino)propyl]ethanesulfonamide is sourced from PubChem (CID 115715062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).