ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate

C13H25NO4S — CID 65044720

IUPACethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC(C)CC)CCCC1S(C)(=O)=O
InChIInChI=1S/C13H25NO4S/c1-5-10(3)14-13(12(15)18-6-2)9-7-8-11(13)19(4,16)17/h10-11,14H,5-9H2,1-4H3
InChIKeyYCFVNHVVESZKOW-UHFFFAOYSA-N
MW291.41 g/mol
LogP1.27
Rot. Bonds6

About ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate

ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate (PubChem CID 65044720) has the molecular formula C13H25NO4S and a molecular weight of 291.41 g/mol. Its IUPAC name is ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate
PubChem CID65044720
Molecular FormulaC13H25NO4S
Molecular Weight291.41 g/mol
Exact Mass291.15
IUPAC Nameethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC(C)CC)CCCC1S(C)(=O)=O
InChIInChI=1S/C13H25NO4S/c1-5-10(3)14-13(12(15)18-6-2)9-7-8-11(13)19(4,16)17/h10-11,14H,5-9H2,1-4H3
InChIKeyYCFVNHVVESZKOW-UHFFFAOYSA-N
XLogP1.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(butan-2-ylamino)-2-methoxycyclohexane-1-carboxylate
CID 106873112
ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate
CID 82718161
ethyl 1-(butan-2-ylamino)-4-propylcycloheptane-1-carboxylate
CID 65089169
ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate
CID 61244108
ethyl 4-methyl-1-(propan-2-ylamino)cycloheptane-1-carboxylate
CID 65084789
diethyl 2-propan-2-ylcyclopentane-1,1-dicarboxylate
CID 15550872
ethyl 2-methyl-1-(methylamino)cyclopentane-1-carboxylate
CID 65045182
2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid
CID 65045017
ethyl 4-(butan-2-ylamino)oxepane-4-carboxylate
CID 65079406
2-[1-(1-aminoethyl)-2-methylsulfonylcyclopentyl]ethanol
CID 66092167
diethyl 2-methylsulfonylcyclopropane-1,1-dicarboxylate
CID 102568908
diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate
CID 99998367

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate (CID 65044720) is ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate is CCOC(=O)C1(NC(C)CC)CCCC1S(C)(=O)=O.
What is the InChIKey of ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate?
The InChIKey is YCFVNHVVESZKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4S/c1-5-10(3)14-13(12(15)18-6-2)9-7-8-11(13)19(4,16)17/h10-11,14H,5-9H2,1-4H3.
What are the key properties of ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate?
ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate has a molecular weight of 291.41 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(butan-2-ylamino)-2-methylsulfonylcyclopentane-1-carboxylate is sourced from PubChem (CID 65044720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).