N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine

C12H14ClNS2 — CID 80529345

IUPACN-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1sccc1Cl
InChIInChI=1S/C12H14ClNS2/c1-2-5-14-11(9-3-6-15-8-9)12-10(13)4-7-16-12/h3-4,6-8,11,14H,2,5H2,1H3
InChIKeyKEEXGVCUKNDCKZ-UHFFFAOYSA-N
MW271.84 g/mol
LogP4.55
Rot. Bonds5

About N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine

N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine (PubChem CID 80529345) has the molecular formula C12H14ClNS2 and a molecular weight of 271.84 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
PubChem CID80529345
Molecular FormulaC12H14ClNS2
Molecular Weight271.84 g/mol
Exact Mass271.03
IUPAC NameN-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1sccc1Cl
InChIInChI=1S/C12H14ClNS2/c1-2-5-14-11(9-3-6-15-8-9)12-10(13)4-7-16-12/h3-4,6-8,11,14H,2,5H2,1H3
InChIKeyKEEXGVCUKNDCKZ-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.84
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine
CID 80529572
N-[(3-chlorothiophen-2-yl)-(4-propylphenyl)methyl]propan-1-amine
CID 80644875
N-[(3-chlorothiophen-2-yl)-(4-methylsulfonylphenyl)methyl]propan-1-amine
CID 80529064
N-[(3-chlorothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 107360052
N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 65104445
N-[(3-chlorothiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 80529576
N-[(3-chlorothiophen-2-yl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 80529364
N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80645193
N-[thieno[3,2-b]pyridin-6-yl(thiophen-3-yl)methyl]propan-1-amine
CID 81143136
N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43494415
N-[(2-bromophenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine
CID 80529530
N-[(3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 107360108

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine (CID 80529345) is N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine is CCCNC(c1ccsc1)c1sccc1Cl.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine?
The InChIKey is KEEXGVCUKNDCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNS2/c1-2-5-14-11(9-3-6-15-8-9)12-10(13)4-7-16-12/h3-4,6-8,11,14H,2,5H2,1H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine?
N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine has a molecular weight of 271.84 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 80529345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).