(4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine

C10H19NO2S — CID 84785633

IUPAC(4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine
SMILESNCC1CS(=O)(=O)CC1C1CCCC1
InChIInChI=1S/C10H19NO2S/c11-5-9-6-14(12,13)7-10(9)8-3-1-2-4-8/h8-10H,1-7,11H2
InChIKeyYROMWIJLEWAAFL-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.80
Rot. Bonds2

About (4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine

(4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine (PubChem CID 84785633) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is (4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine
PubChem CID84785633
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name(4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine
SMILESNCC1CS(=O)(=O)CC1C1CCCC1
InChIInChI=1S/C10H19NO2S/c11-5-9-6-14(12,13)7-10(9)8-3-1-2-4-8/h8-10H,1-7,11H2
InChIKeyYROMWIJLEWAAFL-UHFFFAOYSA-N
XLogP0.80
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine
CID 22484494
[4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine
CID 115020252
(4-cycloheptyloxolan-3-yl)methanamine
CID 84774594
[(1S,2S)-2-cyclobutylcyclopropyl]methanamine
CID 124511176
(4-cyclopentylpyrrolidin-3-yl)methanamine
CID 82597822
1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylmethanamine;hydrochloride
CID 170922777
(4-ethyl-1,1-dioxothian-3-yl)methanamine
CID 84772118
4-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene 2,2-dioxide
CID 146652678
(1,1-dioxothian-3-yl)methanamine;hydrochloride
CID 84669194
[1-(aminomethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]methanamine
CID 69411723
[2-(4-methylcyclohexyl)cyclohexyl]methanamine
CID 81010575
2-(2-cyclopentylcyclopropyl)ethanamine
CID 83826413

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine?
The IUPAC name of (4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine (CID 84785633) is (4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine.
What is the SMILES notation for (4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine?
The canonical SMILES for (4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine is NCC1CS(=O)(=O)CC1C1CCCC1.
What is the InChIKey of (4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine?
The InChIKey is YROMWIJLEWAAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c11-5-9-6-14(12,13)7-10(9)8-3-1-2-4-8/h8-10H,1-7,11H2.
What are the key properties of (4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine?
(4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine has a molecular weight of 217.33 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentyl-1,1-dioxothiolan-3-yl)methanamine is sourced from PubChem (CID 84785633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).