N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine

C14H16ClNS2 — CID 113466404

IUPACN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine
SMILESC=CCC(C)NC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNS2/c1-3-5-10(2)16-14(11-6-4-9-17-11)12-7-8-13(15)18-12/h3-4,6-10,14,16H,1,5H2,2H3
InChIKeyODFWOPKIPUOVGJ-UHFFFAOYSA-N
MW297.88 g/mol
LogP5.11
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine (PubChem CID 113466404) has the molecular formula C14H16ClNS2 and a molecular weight of 297.88 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine
PubChem CID113466404
Molecular FormulaC14H16ClNS2
Molecular Weight297.88 g/mol
Exact Mass297.04
IUPAC NameN-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine
SMILESC=CCC(C)NC(c1cccs1)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNS2/c1-3-5-10(2)16-14(11-6-4-9-17-11)12-7-8-13(15)18-12/h3-4,6-10,14,16H,1,5H2,2H3
InChIKeyODFWOPKIPUOVGJ-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.88
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]amino]-3-methylbutan-1-ol
CID 79254049
N-(1-thiophen-2-ylbut-3-enyl)pent-4-en-2-amine
CID 102574543
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 43491982
2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
CID 165073785
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]hex-1-yn-3-amine
CID 106226083
(1S)-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1-pyridin-3-ylethanamine
CID 81391932
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methoxyethanamine
CID 43756293
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pyrrol-1-amine
CID 79091085
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962931
2-chloro-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-6-methylaniline
CID 66252073
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-3-ethoxypropan-1-amine
CID 43765306
4-bromo-N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-methylaniline
CID 43758835

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine (CID 113466404) is N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine is C=CCC(C)NC(c1cccs1)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine?
The InChIKey is ODFWOPKIPUOVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS2/c1-3-5-10(2)16-14(11-6-4-9-17-11)12-7-8-13(15)18-12/h3-4,6-10,14,16H,1,5H2,2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine?
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]pent-4-en-2-amine has a molecular weight of 297.88 g/mol, XLogP of 5.11, 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]pent-4-en-2-amine is sourced from PubChem (CID 113466404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).