N-(2-aminoethylsulfonyl)-2-propylpentanamide

C10H22N2O3S — CID 22289953

IUPACN-(2-aminoethylsulfonyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NS(=O)(=O)CCN
InChIInChI=1S/C10H22N2O3S/c1-3-5-9(6-4-2)10(13)12-16(14,15)8-7-11/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyCYPYHICCXXGOIV-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.61
Rot. Bonds8

About N-(2-aminoethylsulfonyl)-2-propylpentanamide

N-(2-aminoethylsulfonyl)-2-propylpentanamide (PubChem CID 22289953) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(2-aminoethylsulfonyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(2-aminoethylsulfonyl)-2-propylpentanamide
PubChem CID22289953
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-(2-aminoethylsulfonyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NS(=O)(=O)CCN
InChIInChI=1S/C10H22N2O3S/c1-3-5-9(6-4-2)10(13)12-16(14,15)8-7-11/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyCYPYHICCXXGOIV-UHFFFAOYSA-N
XLogP0.61
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethylsulfonyl)-2-propylpentanamide?
The IUPAC name of N-(2-aminoethylsulfonyl)-2-propylpentanamide (CID 22289953) is N-(2-aminoethylsulfonyl)-2-propylpentanamide.
What is the SMILES notation for N-(2-aminoethylsulfonyl)-2-propylpentanamide?
The canonical SMILES for N-(2-aminoethylsulfonyl)-2-propylpentanamide is CCCC(CCC)C(=O)NS(=O)(=O)CCN.
What is the InChIKey of N-(2-aminoethylsulfonyl)-2-propylpentanamide?
The InChIKey is CYPYHICCXXGOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-5-9(6-4-2)10(13)12-16(14,15)8-7-11/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of N-(2-aminoethylsulfonyl)-2-propylpentanamide?
N-(2-aminoethylsulfonyl)-2-propylpentanamide has a molecular weight of 250.36 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethylsulfonyl)-2-propylpentanamide is sourced from PubChem (CID 22289953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).