N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine

C15H16ClNS2 — CID 106226083

IUPACN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine
SMILESC#CC(CCC)NC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClNS2/c1-3-6-11(4-2)17-15(12-7-5-10-18-12)13-8-9-14(16)19-13/h2,5,7-11,15,17H,3,6H2,1H3
InChIKeyBGZZSTWKGBLLPL-UHFFFAOYSA-N
MW309.89 g/mol
LogP4.94
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine (PubChem CID 106226083) has the molecular formula C15H16ClNS2 and a molecular weight of 309.89 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine
PubChem CID106226083
Molecular FormulaC15H16ClNS2
Molecular Weight309.89 g/mol
Exact Mass309.04
IUPAC NameN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine
SMILESC#CC(CCC)NC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClNS2/c1-3-6-11(4-2)17-15(12-7-5-10-18-12)13-8-9-14(16)19-13/h2,5,7-11,15,17H,3,6H2,1H3
InChIKeyBGZZSTWKGBLLPL-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.89
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]pent-1-yn-3-amine
CID 114160682
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962931
2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol
CID 79254049
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine
CID 113466404
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-ethylhexan-1-amine
CID 43767499
2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
CID 165073785
2-(hex-1-yn-3-ylamino)-1-thiophen-2-ylethanol
CID 106229852
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293
2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline
CID 66252073
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine
CID 62117806
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-3-ethoxypropan-1-amine
CID 43765306

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine (CID 106226083) is N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine is C#CC(CCC)NC(c1cccs1)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine?
The InChIKey is BGZZSTWKGBLLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS2/c1-3-6-11(4-2)17-15(12-7-5-10-18-12)13-8-9-14(16)19-13/h2,5,7-11,15,17H,3,6H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine?
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine has a molecular weight of 309.89 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine is sourced from PubChem (CID 106226083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).