2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide

C13H26N2O2S — CID 114232712

IUPAC2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)C1CCC(NCC)C1C
InChIInChI=1S/C13H26N2O2S/c1-4-8-15-13(16)9-18(17)12-7-6-11(10(12)3)14-5-2/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyAJPDNWNAMVLFCQ-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.04
Rot. Bonds7

About 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide

2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide (PubChem CID 114232712) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide
PubChem CID114232712
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)C1CCC(NCC)C1C
InChIInChI=1S/C13H26N2O2S/c1-4-8-15-13(16)9-18(17)12-7-6-11(10(12)3)14-5-2/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyAJPDNWNAMVLFCQ-UHFFFAOYSA-N
XLogP1.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[3-(ethylamino)-2-methylcyclopentyl]sulfinylacetamide
CID 114232806
N-ethyl-2-methyl-3-pentylsulfinylcyclopentan-1-amine
CID 107758842
2-(2-amino-5-methylcyclohexyl)sulfinyl-N-propylacetamide
CID 114232694
N-ethyl-3-(2-methoxyethylsulfinyl)-2-methylcyclopentan-1-amine
CID 64905724
2-[2-(aminomethyl)cyclohexyl]sulfinyl-N-propylacetamide
CID 114233410
2-[(2,3-dimethylcyclopentyl)amino]-N-propylacetamide
CID 64907846
3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine
CID 64905520
N-ethyl-4-methyl-2-propylsulfinylcyclohexan-1-amine
CID 64652163
2-butylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64653897
N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
CID 64651423
3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64905728
3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64904089

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide?
The IUPAC name of 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide (CID 114232712) is 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide.
What is the SMILES notation for 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide?
The canonical SMILES for 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide is CCCNC(=O)CS(=O)C1CCC(NCC)C1C.
What is the InChIKey of 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide?
The InChIKey is AJPDNWNAMVLFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-4-8-15-13(16)9-18(17)12-7-6-11(10(12)3)14-5-2/h10-12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide?
2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide has a molecular weight of 274.43 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide is sourced from PubChem (CID 114232712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).