N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride

C11H17Cl2NS2 — CID 115582706

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride
SMILESCl.Clc1ccc(CCNC2CCSCC2)s1
InChIInChI=1S/C11H16ClNS2.ClH/c12-11-2-1-10(15-11)3-6-13-9-4-7-14-8-5-9;/h1-2,9,13H,3-8H2;1H
InChIKeyROHMVYVDRPGUMC-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.85
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride

N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride (PubChem CID 115582706) has the molecular formula C11H17Cl2NS2 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride
PubChem CID115582706
Molecular FormulaC11H17Cl2NS2
Molecular Weight298.30 g/mol
Exact Mass297.02
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride
SMILESCl.Clc1ccc(CCNC2CCSCC2)s1
InChIInChI=1S/C11H16ClNS2.ClH/c12-11-2-1-10(15-11)3-6-13-9-4-7-14-8-5-9;/h1-2,9,13H,3-8H2;1H
InChIKeyROHMVYVDRPGUMC-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
CID 103698612
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CID 62528423
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 113260642
N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
CID 65308853
N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 106042378
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 114140580
(2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine
CID 114227927
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 106041165
N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine
CID 79590346
trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 106046578
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106046741
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 106046098

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride (CID 115582706) is N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride is Cl.Clc1ccc(CCNC2CCSCC2)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride?
The InChIKey is ROHMVYVDRPGUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS2.ClH/c12-11-2-1-10(15-11)3-6-13-9-4-7-14-8-5-9;/h1-2,9,13H,3-8H2;1H.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride?
N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride has a molecular weight of 298.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride is sourced from PubChem (CID 115582706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).