1-(4-chlorothiophen-2-yl)-N-prop-2-ynylethane-1,2-diamine

C9H11ClN2S — CID 79426626

IUPAC1-(4-chlorothiophen-2-yl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNC(CN)c1cc(Cl)cs1
InChIInChI=1S/C9H11ClN2S/c1-2-3-12-8(5-11)9-4-7(10)6-13-9/h1,4,6,8,12H,3,5,11H2
InChIKeyGLWBKUGJFXWGHP-UHFFFAOYSA-N
MW214.72 g/mol
LogP1.62
Rot. Bonds4

About 1-(4-chlorothiophen-2-yl)-N-prop-2-ynylethane-1,2-diamine

1-(4-chlorothiophen-2-yl)-N-prop-2-ynylethane-1,2-diamine (PubChem CID 79426626) has the molecular formula C9H11ClN2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-N-prop-2-ynylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-N-prop-2-ynylethane-1,2-diamine
PubChem CID79426626
Molecular FormulaC9H11ClN2S
Molecular Weight214.72 g/mol
Exact Mass214.03
IUPAC Name1-(4-chlorothiophen-2-yl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNC(CN)c1cc(Cl)cs1
InChIInChI=1S/C9H11ClN2S/c1-2-3-12-8(5-11)9-4-7(10)6-13-9/h1,4,6,8,12H,3,5,11H2
InChIKeyGLWBKUGJFXWGHP-UHFFFAOYSA-N
XLogP1.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorothiophen-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466541
1-(4-chlorothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 79427844
1-(4-chlorothiophen-2-yl)-N-phenylethane-1,2-diamine
CID 79428184
(1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
CID 124500651
1-(4-chloro-2-fluorophenyl)-N-prop-2-ynylethane-1,2-diamine
CID 114843243
1-(4-chlorothiophen-2-yl)-N-cyclopentylethane-1,2-diamine
CID 79426966
1-(4-chlorothiophen-2-yl)-N-[3-chloro-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 116699256
1-(4-chlorothiophen-2-yl)-2-(propan-2-ylamino)ethanol
CID 3046791
1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine
CID 79427710
N-[(4-chlorothiophen-2-yl)methyl]prop-2-yn-1-amine
CID 79420548
3-amino-3-(4-chlorothiophen-2-yl)propan-1-ol
CID 79427562
1-(3-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65381566

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-N-prop-2-ynylethane-1,2-diamine?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-N-prop-2-ynylethane-1,2-diamine (CID 79426626) is 1-(4-chlorothiophen-2-yl)-N-prop-2-ynylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-N-prop-2-ynylethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-N-prop-2-ynylethane-1,2-diamine is C#CCNC(CN)c1cc(Cl)cs1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-N-prop-2-ynylethane-1,2-diamine?
The InChIKey is GLWBKUGJFXWGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2S/c1-2-3-12-8(5-11)9-4-7(10)6-13-9/h1,4,6,8,12H,3,5,11H2.
What are the key properties of 1-(4-chlorothiophen-2-yl)-N-prop-2-ynylethane-1,2-diamine?
1-(4-chlorothiophen-2-yl)-N-prop-2-ynylethane-1,2-diamine has a molecular weight of 214.72 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-N-prop-2-ynylethane-1,2-diamine is sourced from PubChem (CID 79426626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).