N-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide

C9H22N2O2S — CID 115713387

IUPACN-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide
SMILESCCCC(C)NCCNS(=O)(=O)CC
InChIInChI=1S/C9H22N2O2S/c1-4-6-9(3)10-7-8-11-14(12,13)5-2/h9-11H,4-8H2,1-3H3
InChIKeyURRQBVARXFPBAK-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.70
Rot. Bonds8

About N-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide

N-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide (PubChem CID 115713387) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide
PubChem CID115713387
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide
SMILESCCCC(C)NCCNS(=O)(=O)CC
InChIInChI=1S/C9H22N2O2S/c1-4-6-9(3)10-7-8-11-14(12,13)5-2/h9-11H,4-8H2,1-3H3
InChIKeyURRQBVARXFPBAK-UHFFFAOYSA-N
XLogP0.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.70
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-[3-(pentan-2-ylamino)propyl]ethanesulfonamide
CID 115715062
N-[2-(butan-2-ylamino)ethyl]ethanesulfonamide
CID 115713390
N-(3-ethylsulfonylpropyl)pentan-2-amine
CID 65093932
N-(5-methylhexyl)ethanesulfonamide
CID 79002950
N-ethyl-2-(heptan-2-ylamino)ethanesulfonamide
CID 115889629
N-pentan-2-ylheptan-1-amine
CID 43129169
N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine
CID 106513123
5-(pentan-2-ylamino)pentan-2-ol
CID 107270408
N-[2-(pentan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 75525140
4-(3-methylbutan-2-ylsulfonyl)-N-propylbutan-2-amine
CID 107759127
7-ethylsulfonyl-N-propylheptan-2-amine
CID 65096990
N-(2-aminoethyl)-2-methylpentane-1-sulfonamide
CID 86780515

Frequently Asked Questions

What is the IUPAC name of N-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide (CID 115713387) is N-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide is CCCC(C)NCCNS(=O)(=O)CC.
What is the InChIKey of N-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide?
The InChIKey is URRQBVARXFPBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-4-6-9(3)10-7-8-11-14(12,13)5-2/h9-11H,4-8H2,1-3H3.
What are the key properties of N-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide?
N-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide is sourced from PubChem (CID 115713387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).