2-[(3-ethylsulfanylcyclopentyl)amino]butanamide

C11H22N2OS — CID 103711403

IUPAC2-[(3-ethylsulfanylcyclopentyl)amino]butanamide
SMILESCCSC1CCC(NC(CC)C(N)=O)C1
InChIInChI=1S/C11H22N2OS/c1-3-10(11(12)14)13-8-5-6-9(7-8)15-4-2/h8-10,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeySRTOYKIOYWIICY-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.51
Rot. Bonds6

About 2-[(3-ethylsulfanylcyclopentyl)amino]butanamide

2-[(3-ethylsulfanylcyclopentyl)amino]butanamide (PubChem CID 103711403) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-[(3-ethylsulfanylcyclopentyl)amino]butanamide.

Molecular Properties

Compound Name2-[(3-ethylsulfanylcyclopentyl)amino]butanamide
PubChem CID103711403
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name2-[(3-ethylsulfanylcyclopentyl)amino]butanamide
SMILESCCSC1CCC(NC(CC)C(N)=O)C1
InChIInChI=1S/C11H22N2OS/c1-3-10(11(12)14)13-8-5-6-9(7-8)15-4-2/h8-10,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeySRTOYKIOYWIICY-UHFFFAOYSA-N
XLogP1.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylsulfanylcyclopentyl)amino]butanamide?
The IUPAC name of 2-[(3-ethylsulfanylcyclopentyl)amino]butanamide (CID 103711403) is 2-[(3-ethylsulfanylcyclopentyl)amino]butanamide.
What is the SMILES notation for 2-[(3-ethylsulfanylcyclopentyl)amino]butanamide?
The canonical SMILES for 2-[(3-ethylsulfanylcyclopentyl)amino]butanamide is CCSC1CCC(NC(CC)C(N)=O)C1.
What is the InChIKey of 2-[(3-ethylsulfanylcyclopentyl)amino]butanamide?
The InChIKey is SRTOYKIOYWIICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-3-10(11(12)14)13-8-5-6-9(7-8)15-4-2/h8-10,13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 2-[(3-ethylsulfanylcyclopentyl)amino]butanamide?
2-[(3-ethylsulfanylcyclopentyl)amino]butanamide has a molecular weight of 230.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylsulfanylcyclopentyl)amino]butanamide is sourced from PubChem (CID 103711403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).