N-cyclopropyl-2-[3-(ethylamino)-2-methylcyclopentyl]sulfinylacetamide

C13H24N2O2S — CID 114232806

IUPACN-cyclopropyl-2-[3-(ethylamino)-2-methylcyclopentyl]sulfinylacetamide
SMILESCCNC1CCC(S(=O)CC(=O)NC2CC2)C1C
InChIInChI=1S/C13H24N2O2S/c1-3-14-11-6-7-12(9(11)2)18(17)8-13(16)15-10-4-5-10/h9-12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyPDSAVXJFVJAVIY-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.79
Rot. Bonds6

About N-cyclopropyl-2-[3-(ethylamino)-2-methylcyclopentyl]sulfinylacetamide

N-cyclopropyl-2-[3-(ethylamino)-2-methylcyclopentyl]sulfinylacetamide (PubChem CID 114232806) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(ethylamino)-2-methylcyclopentyl]sulfinylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(ethylamino)-2-methylcyclopentyl]sulfinylacetamide
PubChem CID114232806
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-cyclopropyl-2-[3-(ethylamino)-2-methylcyclopentyl]sulfinylacetamide
SMILESCCNC1CCC(S(=O)CC(=O)NC2CC2)C1C
InChIInChI=1S/C13H24N2O2S/c1-3-14-11-6-7-12(9(11)2)18(17)8-13(16)15-10-4-5-10/h9-12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyPDSAVXJFVJAVIY-UHFFFAOYSA-N
XLogP0.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide
CID 114232712
N-cyclopropyl-2-[5-methyl-2-(methylamino)cyclohexyl]sulfinylacetamide
CID 114232790
N-ethyl-2-methyl-3-pentylsulfinylcyclopentan-1-amine
CID 107758842
N-ethyl-3-(2-methoxyethylsulfinyl)-2-methylcyclopentan-1-amine
CID 64905724
3-ethylsulfinyl-N,2-dimethylcyclopentan-1-amine
CID 64905520
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66258082
N-[4-(ethylamino)cyclohexyl]cyclopropanecarboxamide
CID 43653371
2-[2-(cyclopropylamino)-2-oxoethyl]sulfinylpropanoic acid
CID 60982234
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
N-cyclohexyl-2-[(2,3-dimethylcyclopentyl)amino]acetamide
CID 64908272
N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide
CID 43653338
3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64905728

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(ethylamino)-2-methylcyclopentyl]sulfinylacetamide?
The IUPAC name of N-cyclopropyl-2-[3-(ethylamino)-2-methylcyclopentyl]sulfinylacetamide (CID 114232806) is N-cyclopropyl-2-[3-(ethylamino)-2-methylcyclopentyl]sulfinylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(ethylamino)-2-methylcyclopentyl]sulfinylacetamide?
The canonical SMILES for N-cyclopropyl-2-[3-(ethylamino)-2-methylcyclopentyl]sulfinylacetamide is CCNC1CCC(S(=O)CC(=O)NC2CC2)C1C.
What is the InChIKey of N-cyclopropyl-2-[3-(ethylamino)-2-methylcyclopentyl]sulfinylacetamide?
The InChIKey is PDSAVXJFVJAVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-3-14-11-6-7-12(9(11)2)18(17)8-13(16)15-10-4-5-10/h9-12,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-cyclopropyl-2-[3-(ethylamino)-2-methylcyclopentyl]sulfinylacetamide?
N-cyclopropyl-2-[3-(ethylamino)-2-methylcyclopentyl]sulfinylacetamide has a molecular weight of 272.41 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(ethylamino)-2-methylcyclopentyl]sulfinylacetamide is sourced from PubChem (CID 114232806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).