N-cyclopentyl-1,1-dioxothiolan-3-amine

C9H17NO2S — CID 4962278

IUPACN-cyclopentyl-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NC2CCCC2)C1
InChIInChI=1S/C9H17NO2S/c11-13(12)6-5-9(7-13)10-8-3-1-2-4-8/h8-10H,1-7H2
InChIKeyBHRLZTFOPZEOCL-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.71
Rot. Bonds2

About N-cyclopentyl-1,1-dioxothiolan-3-amine

N-cyclopentyl-1,1-dioxothiolan-3-amine (PubChem CID 4962278) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-cyclopentyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-cyclopentyl-1,1-dioxothiolan-3-amine
PubChem CID4962278
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-cyclopentyl-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NC2CCCC2)C1
InChIInChI=1S/C9H17NO2S/c11-13(12)6-5-9(7-13)10-8-3-1-2-4-8/h8-10H,1-7H2
InChIKeyBHRLZTFOPZEOCL-UHFFFAOYSA-N
XLogP0.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Cyclopentylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 16247866
N-butyl-N-(1,1-dioxidotetrahydrothien-3-yl)amine hydrochloride
CID 12643601
3-(Butylamino)-1lambda6-thiolane-1,1-dione
CID 2831159
N-cyclohexyltetrahydrothiophen-3-amine 1,1-dioxide
CID 3152340
(2R)-2-(methanesulfonylmethyl)pyrrolidine
CID 23401765
3-(Cyclohexylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 24279262
3-[(Piperidin-4-yl)amino]-1lambda6-thiolane-1,1-dione
CID 43511755
N-[(1,1-dioxothiolan-2-yl)methyl]thian-4-amine
CID 81039391
2-Thia-5-azabicyclo[2.2.1]heptane 2,2-dioxide
CID 20581438
(R)-2-(2-((4,4,4-Trifluorobutyl)sulfonyl)ethyl)pyrrolidine
CID 117927797
(R)-2-(2-((3,3,3-Trifluoropropyl)sulfonyl)ethyl)pyrrolidine
CID 117927821
(S)-2-(2-((3,3,3-Trifluoropropyl)sulfonyl)ethyl)pyrrolidine
CID 117928046

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-cyclopentyl-1,1-dioxothiolan-3-amine (CID 4962278) is N-cyclopentyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-cyclopentyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-cyclopentyl-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-1,1-dioxothiolan-3-amine?
The InChIKey is BHRLZTFOPZEOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-13(12)6-5-9(7-13)10-8-3-1-2-4-8/h8-10H,1-7H2.
What are the key properties of N-cyclopentyl-1,1-dioxothiolan-3-amine?
N-cyclopentyl-1,1-dioxothiolan-3-amine has a molecular weight of 203.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 4962278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).