1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine

C12H23NO2S — CID 115074188

IUPAC1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine
SMILESNC1(CCC2CCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C12H23NO2S/c13-12(6-1-2-7-12)8-3-11-4-9-16(14,15)10-5-11/h11H,1-10,13H2
InChIKeyLBJSQILWWFTYLN-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.86
Rot. Bonds3

About 1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine

1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine (PubChem CID 115074188) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine
PubChem CID115074188
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine
SMILESNC1(CCC2CCS(=O)(=O)CC2)CCCC1
InChIInChI=1S/C12H23NO2S/c13-12(6-1-2-7-12)8-3-11-4-9-16(14,15)10-5-11/h11H,1-10,13H2
InChIKeyLBJSQILWWFTYLN-UHFFFAOYSA-N
XLogP1.86
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,1-dioxothian-3-yl)ethyl]cyclopentan-1-amine
CID 115074208
1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-ol
CID 115073699
4-[2-(2-ethylpyrrolidin-2-yl)ethyl]thiane 1,1-dioxide
CID 117271412
1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine
CID 115074255
2-(1,1-dioxothian-4-yl)ethanamine;hydrochloride
CID 56828087
1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine
CID 115074209
1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine
CID 83906962
1-(2-pyrrolidin-3-ylethyl)cyclohexan-1-amine
CID 115074244
4-(2-chloroethyl)thiane 1,1-dioxide
CID 165442891
1-[(1,1-dioxothian-4-yl)methyl]cyclohexan-1-ol
CID 115073768
2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide
CID 79851189
O-[1-(1,1-dioxothian-4-yl)-2-methylpropan-2-yl]hydroxylamine
CID 117104683

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine (CID 115074188) is 1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine is NC1(CCC2CCS(=O)(=O)CC2)CCCC1.
What is the InChIKey of 1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine?
The InChIKey is LBJSQILWWFTYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c13-12(6-1-2-7-12)8-3-11-4-9-16(14,15)10-5-11/h11H,1-10,13H2.
What are the key properties of 1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine?
1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 115074188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).