3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide

C12H24N2OS — CID 103581059

IUPAC3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide
SMILESCCSC1CCCC1NC(=O)C(C)C(C)N
InChIInChI=1S/C12H24N2OS/c1-4-16-11-7-5-6-10(11)14-12(15)8(2)9(3)13/h8-11H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyRZFBEJGFFORBIO-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.76
Rot. Bonds5

About 3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide

3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide (PubChem CID 103581059) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide
PubChem CID103581059
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide
SMILESCCSC1CCCC1NC(=O)C(C)C(C)N
InChIInChI=1S/C12H24N2OS/c1-4-16-11-7-5-6-10(11)14-12(15)8(2)9(3)13/h8-11H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyRZFBEJGFFORBIO-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide?
The IUPAC name of 3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide (CID 103581059) is 3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide?
The canonical SMILES for 3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide is CCSC1CCCC1NC(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide?
The InChIKey is RZFBEJGFFORBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-4-16-11-7-5-6-10(11)14-12(15)8(2)9(3)13/h8-11H,4-7,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide?
3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide has a molecular weight of 244.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylsulfanylcyclopentyl)-2-methylbutanamide is sourced from PubChem (CID 103581059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).