N-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine

C13H26N2S — CID 107298390

IUPACN-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine
SMILESCCCNC1CCCN(CC2CCSC2)C1
InChIInChI=1S/C13H26N2S/c1-2-6-14-13-4-3-7-15(10-13)9-12-5-8-16-11-12/h12-14H,2-11H2,1H3
InChIKeyIUPNGUQTHAZDSJ-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.20
Rot. Bonds5

About N-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine

N-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine (PubChem CID 107298390) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine
PubChem CID107298390
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine
SMILESCCCNC1CCCN(CC2CCSC2)C1
InChIInChI=1S/C13H26N2S/c1-2-6-14-13-4-3-7-15(10-13)9-12-5-8-16-11-12/h12-14H,2-11H2,1H3
InChIKeyIUPNGUQTHAZDSJ-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-N-propylpiperidin-3-amine
CID 83991380
1-(2-propan-2-ylsulfonylethyl)-N-propylpiperidin-3-amine
CID 106721523
1-(cyclopentylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991259
N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride
CID 120841663
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
1-(cyclopropylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991199
1-(cyclohexylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991266
1-ethyl-N-(thian-4-ylmethyl)azepan-4-amine
CID 113487394
N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
CID 43181582
1-(2,6-dimethylpiperidin-1-yl)-N-propylpiperidin-3-amine
CID 83023844
3-(thiolan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 107133226
1-(3-methylpentan-3-yl)-N-propylpiperidin-3-amine
CID 106329682

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine?
The IUPAC name of N-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine (CID 107298390) is N-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine.
What is the SMILES notation for N-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine?
The canonical SMILES for N-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine is CCCNC1CCCN(CC2CCSC2)C1.
What is the InChIKey of N-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine?
The InChIKey is IUPNGUQTHAZDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-2-6-14-13-4-3-7-15(10-13)9-12-5-8-16-11-12/h12-14H,2-11H2,1H3.
What are the key properties of N-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine?
N-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine has a molecular weight of 242.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 107298390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).