3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine

C9H14ClNS2 — CID 66224951

IUPAC3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine
SMILESCC(CN)CSCc1ccc(Cl)s1
InChIInChI=1S/C9H14ClNS2/c1-7(4-11)5-12-6-8-2-3-9(10)13-8/h2-3,7H,4-6,11H2,1H3
InChIKeyYOJCYILDOXNHPN-UHFFFAOYSA-N
MW235.80 g/mol
LogP3.23
Rot. Bonds5

About 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine

3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine (PubChem CID 66224951) has the molecular formula C9H14ClNS2 and a molecular weight of 235.80 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine
PubChem CID66224951
Molecular FormulaC9H14ClNS2
Molecular Weight235.80 g/mol
Exact Mass235.03
IUPAC Name3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine
SMILESCC(CN)CSCc1ccc(Cl)s1
InChIInChI=1S/C9H14ClNS2/c1-7(4-11)5-12-6-8-2-3-9(10)13-8/h2-3,7H,4-6,11H2,1H3
InChIKeyYOJCYILDOXNHPN-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.80
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chlorothiophen-2-yl)methylsulfanyl]butan-2-amine
CID 66233246
3-[(2-chlorophenyl)methylsulfanyl]-2-methylpropan-1-amine
CID 66226526
3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202609
1-[(5-bromothiophen-2-yl)methylsulfanyl]propan-2-amine
CID 66217511
methyl N'-[2-[(5-chlorothiophen-2-yl)methylsulfanyl]ethyl]carbamimidothioate;hydroiodide
CID 173377773
3-[(4-chloro-2-pyridinyl)methylsulfanyl]-2-methylpropan-1-amine
CID 79254897
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]-methylamino]propanoic acid
CID 62626392
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(1-hydroxypropan-2-yl)acetamide
CID 43418794
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide
CID 60701138
ethyl 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]propanoate
CID 47368145
3-[(5-chlorothiadiazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine
CID 66227721
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(4-hydroxybutan-2-yl)acetamide
CID 115283632

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine (CID 66224951) is 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine is CC(CN)CSCc1ccc(Cl)s1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine?
The InChIKey is YOJCYILDOXNHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNS2/c1-7(4-11)5-12-6-8-2-3-9(10)13-8/h2-3,7H,4-6,11H2,1H3.
What are the key properties of 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine?
3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine has a molecular weight of 235.80 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methylsulfanyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66224951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).