N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine

C16H21ClN2S2 — CID 134927554

IUPACN-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine
SMILESCc1ccc(N(CCN2CCCC2)Cc2ccc(Cl)s2)s1
InChIInChI=1S/C16H21ClN2S2/c1-13-4-7-16(20-13)19(11-10-18-8-2-3-9-18)12-14-5-6-15(17)21-14/h4-7H,2-3,8-12H2,1H3
InChIKeyFLFGEFZHSHLDRY-UHFFFAOYSA-N
MW340.94 g/mol
LogP4.87
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine

N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine (PubChem CID 134927554) has the molecular formula C16H21ClN2S2 and a molecular weight of 340.94 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine
PubChem CID134927554
Molecular FormulaC16H21ClN2S2
Molecular Weight340.94 g/mol
Exact Mass340.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine
SMILESCc1ccc(N(CCN2CCCC2)Cc2ccc(Cl)s2)s1
InChIInChI=1S/C16H21ClN2S2/c1-13-4-7-16(20-13)19(11-10-18-8-2-3-9-18)12-14-5-6-15(17)21-14/h4-7H,2-3,8-12H2,1H3
InChIKeyFLFGEFZHSHLDRY-UHFFFAOYSA-N
XLogP4.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.94
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)thiophen-2-amine
CID 134926788
N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)aniline
CID 134927135
N-[5-(5-chlorothiophen-2-yl)thiophen-2-yl]-1-ethyl-N-methylpiperidin-4-amine
CID 69157519
N'-[(5-chlorothiophen-2-yl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
CID 97355370

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine (CID 134927554) is N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine is Cc1ccc(N(CCN2CCCC2)Cc2ccc(Cl)s2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine?
The InChIKey is FLFGEFZHSHLDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2S2/c1-13-4-7-16(20-13)19(11-10-18-8-2-3-9-18)12-14-5-6-15(17)21-14/h4-7H,2-3,8-12H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine has a molecular weight of 340.94 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-N-(2-pyrrolidin-1-ylethyl)thiophen-2-amine is sourced from PubChem (CID 134927554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).