(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride

C7H12Cl2N2S — CID 171220102

IUPAC(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@H](N)c1ccc(Cl)s1
InChIInChI=1S/C7H11ClN2S.ClH/c8-7-2-1-6(11-7)5(10)3-4-9;/h1-2,5H,3-4,9-10H2;1H/t5-;/m0./s1
InChIKeyBGLJZGQGNIVWGI-JEDNCBNOSA-N
MW227.16 g/mol
LogP2.17
Rot. Bonds3

About (1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride

(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride (PubChem CID 171220102) has the molecular formula C7H12Cl2N2S and a molecular weight of 227.16 g/mol. Its IUPAC name is (1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
PubChem CID171220102
Molecular FormulaC7H12Cl2N2S
Molecular Weight227.16 g/mol
Exact Mass226.01
IUPAC Name(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@H](N)c1ccc(Cl)s1
InChIInChI=1S/C7H11ClN2S.ClH/c8-7-2-1-6(11-7)5(10)3-4-9;/h1-2,5H,3-4,9-10H2;1H/t5-;/m0./s1
InChIKeyBGLJZGQGNIVWGI-JEDNCBNOSA-N
XLogP2.17
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride
CID 171220112
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
(1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171200577
(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171200575
(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171202338
1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 43114604
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide
CID 116848751
3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 82091891
methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 43146898
1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine
CID 115863512
1-(5-chlorothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 82294536

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride?
The IUPAC name of (1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride (CID 171220102) is (1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for (1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride is Cl.NCC[C@H](N)c1ccc(Cl)s1.
What is the InChIKey of (1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride?
The InChIKey is BGLJZGQGNIVWGI-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H11ClN2S.ClH/c8-7-2-1-6(11-7)5(10)3-4-9;/h1-2,5H,3-4,9-10H2;1H/t5-;/m0./s1.
What are the key properties of (1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride?
(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride has a molecular weight of 227.16 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 171220102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).