3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine

C7H6ClNS — CID 130604994

IUPAC3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine
SMILESNCC#Cc1ccsc1Cl
InChIInChI=1S/C7H6ClNS/c8-7-6(2-1-4-9)3-5-10-7/h3,5H,4,9H2
InChIKeyPIHTXJWFHMDEIO-UHFFFAOYSA-N
MW171.65 g/mol
LogP1.71
Rot. Bonds

About 3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine

3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine (PubChem CID 130604994) has the molecular formula C7H6ClNS and a molecular weight of 171.65 g/mol. Its IUPAC name is 3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine
PubChem CID130604994
Molecular FormulaC7H6ClNS
Molecular Weight171.65 g/mol
Exact Mass170.99
IUPAC Name3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine
SMILESNCC#Cc1ccsc1Cl
InChIInChI=1S/C7H6ClNS/c8-7-6(2-1-4-9)3-5-10-7/h3,5H,4,9H2
InChIKeyPIHTXJWFHMDEIO-UHFFFAOYSA-N
XLogP1.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.65
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-(2-phenylethynyl)thiophene
CID 153398020
3-[2-[(2-chlorophenyl)methylsulfanylmethyl]thiophen-3-yl]prop-2-yn-1-amine
CID 103289404
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide
CID 107964048
2-chlorothiophene-3-carbonitrile
CID 14710956
3-[2-[(3-chloro-4-fluorophenoxy)methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 63879184
3-[2-[(3-chloro-2-fluorophenoxy)methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 116689851
3-[2-[(3-chloro-4-nitrophenoxy)methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 62112289
3-(3-aminoprop-1-ynyl)-N,N-dipropylthiophene-2-carboxamide
CID 63801431
N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)thiophene-2-carboxamide
CID 63800896
3-(3-aminoprop-1-ynyl)-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 63800911
3-(3-aminoprop-1-ynyl)-N-(3-chloro-5-fluorophenyl)thiophene-2-carboxamide
CID 107370246
3-[2-(1,1,1-trifluoropropan-2-yloxymethyl)thiophen-3-yl]prop-2-yn-1-amine
CID 66277641

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine?
The IUPAC name of 3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine (CID 130604994) is 3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine.
What is the SMILES notation for 3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine?
The canonical SMILES for 3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine is NCC#Cc1ccsc1Cl.
What is the InChIKey of 3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine?
The InChIKey is PIHTXJWFHMDEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNS/c8-7-6(2-1-4-9)3-5-10-7/h3,5H,4,9H2.
What are the key properties of 3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine?
3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine has a molecular weight of 171.65 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine is sourced from PubChem (CID 130604994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).