3-(aminomethyl)-N-cyclopentyl-N-methylthiolan-3-amine

C11H22N2S — CID 43267032

IUPAC3-(aminomethyl)-N-cyclopentyl-N-methylthiolan-3-amine
SMILESCN(C1CCCC1)C1(CN)CCSC1
InChIInChI=1S/C11H22N2S/c1-13(10-4-2-3-5-10)11(8-12)6-7-14-9-11/h10H,2-9,12H2,1H3
InChIKeyNNFXDQHVBLPBOX-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.70
Rot. Bonds3

About 3-(aminomethyl)-N-cyclopentyl-N-methylthiolan-3-amine

3-(aminomethyl)-N-cyclopentyl-N-methylthiolan-3-amine (PubChem CID 43267032) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopentyl-N-methylthiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopentyl-N-methylthiolan-3-amine
PubChem CID43267032
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name3-(aminomethyl)-N-cyclopentyl-N-methylthiolan-3-amine
SMILESCN(C1CCCC1)C1(CN)CCSC1
InChIInChI=1S/C11H22N2S/c1-13(10-4-2-3-5-10)11(8-12)6-7-14-9-11/h10H,2-9,12H2,1H3
InChIKeyNNFXDQHVBLPBOX-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,6,6-trifluoro-2-N,2-dimethyl-2-N-(thiolan-3-yl)hexane-1,2-diamine
CID 116535146
3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 2779827
N,N-dimethyl-3-[(propan-2-ylamino)methyl]thiolan-3-amine
CID 115906079
N'-tert-butyl-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585198
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine
CID 130440236
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine;ethane
CID 145087557
(3R)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 6932627
(3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 6932629
3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine
CID 24691049
[3-(2-Methylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 24692070
(3-Pyrrolidin-1-ylthiolan-3-yl)methanamine
CID 24692296
3-(aminomethyl)-N-butyl-N-ethylthiolan-3-amine
CID 24697263

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopentyl-N-methylthiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-cyclopentyl-N-methylthiolan-3-amine (CID 43267032) is 3-(aminomethyl)-N-cyclopentyl-N-methylthiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopentyl-N-methylthiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-cyclopentyl-N-methylthiolan-3-amine is CN(C1CCCC1)C1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-cyclopentyl-N-methylthiolan-3-amine?
The InChIKey is NNFXDQHVBLPBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-13(10-4-2-3-5-10)11(8-12)6-7-14-9-11/h10H,2-9,12H2,1H3.
What are the key properties of 3-(aminomethyl)-N-cyclopentyl-N-methylthiolan-3-amine?
3-(aminomethyl)-N-cyclopentyl-N-methylthiolan-3-amine has a molecular weight of 214.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclopentyl-N-methylthiolan-3-amine is sourced from PubChem (CID 43267032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).