N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride

C14H27ClN2S — CID 120841663

IUPACN-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride
SMILESC1CC(CN2CCC(NCC3CC3)CC2)CS1.Cl
InChIInChI=1S/C14H26N2S.ClH/c1-2-12(1)9-15-14-3-6-16(7-4-14)10-13-5-8-17-11-13;/h12-15H,1-11H2;1H
InChIKeyGBSCOITXQQGPBU-UHFFFAOYSA-N
MW290.90 g/mol
LogP2.63
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride

N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride (PubChem CID 120841663) has the molecular formula C14H27ClN2S and a molecular weight of 290.90 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride
PubChem CID120841663
Molecular FormulaC14H27ClN2S
Molecular Weight290.90 g/mol
Exact Mass290.16
IUPAC NameN-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride
SMILESC1CC(CN2CCC(NCC3CC3)CC2)CS1.Cl
InChIInChI=1S/C14H26N2S.ClH/c1-2-12(1)9-15-14-3-6-16(7-4-14)10-13-5-8-17-11-13;/h12-15H,1-11H2;1H
InChIKeyGBSCOITXQQGPBU-UHFFFAOYSA-N
XLogP2.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.90
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-[(2-methylcyclopropyl)methyl]piperidin-4-amine;hydrochloride
CID 120841537
1-ethyl-N-(thian-4-ylmethyl)azepan-4-amine
CID 113487394
1-(2-phenylethyl)-N-(thiolan-3-ylmethyl)piperidin-4-amine
CID 107165898
1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine
CID 107295361
4-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107131200
1-(2-aminoethyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 121230314
N-(cyclopropylmethyl)-1-(2-ethylsulfonylethyl)piperidin-4-amine;hydrochloride
CID 119926349
N-[(4-methylcyclohexyl)methyl]thiolan-3-amine
CID 63242851
N-(thiolan-3-ylmethyl)cyclohex-3-en-1-amine
CID 107132186
4-methyl-1-(thiolan-3-ylmethyl)piperidin-4-amine
CID 130668817
N-propyl-1-(thiolan-3-ylmethyl)piperidin-3-amine
CID 107298390
3-(thiolan-3-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 107133226

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride (CID 120841663) is N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride is C1CC(CN2CCC(NCC3CC3)CC2)CS1.Cl.
What is the InChIKey of N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride?
The InChIKey is GBSCOITXQQGPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S.ClH/c1-2-12(1)9-15-14-3-6-16(7-4-14)10-13-5-8-17-11-13;/h12-15H,1-11H2;1H.
What are the key properties of N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride?
N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride has a molecular weight of 290.90 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(thiolan-3-ylmethyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120841663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).