4-butan-2-yl-2-chlorothiophen-3-amine

C8H12ClNS — CID 114749335

IUPAC4-butan-2-yl-2-chlorothiophen-3-amine
SMILESCCC(C)c1csc(Cl)c1N
InChIInChI=1S/C8H12ClNS/c1-3-5(2)6-4-11-8(9)7(6)10/h4-5H,3,10H2,1-2H3
InChIKeyRFQOZQRMSMFFJX-UHFFFAOYSA-N
MW189.71 g/mol
LogP3.50
Rot. Bonds2

About 4-butan-2-yl-2-chlorothiophen-3-amine

4-butan-2-yl-2-chlorothiophen-3-amine (PubChem CID 114749335) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is 4-butan-2-yl-2-chlorothiophen-3-amine.

Molecular Properties

Compound Name4-butan-2-yl-2-chlorothiophen-3-amine
PubChem CID114749335
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name4-butan-2-yl-2-chlorothiophen-3-amine
SMILESCCC(C)c1csc(Cl)c1N
InChIInChI=1S/C8H12ClNS/c1-3-5(2)6-4-11-8(9)7(6)10/h4-5H,3,10H2,1-2H3
InChIKeyRFQOZQRMSMFFJX-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylsulfanyl-4-propan-2-ylthiophen-3-amine
CID 134511006
4-Chloro-2-propan-2-ylthiophen-3-amine;hydrochloride
CID 164945704
4-Butan-2-ylthiophen-3-amine
CID 82416252
4-(2-Methylpropyl)thiophen-3-amine
CID 82416253
2-Chloro-4-(1-methylpiperidin-4-yl)thiophen-3-amine
CID 114749356
2-Chloro-5-methyl-4-propan-2-ylthiophen-3-amine
CID 114749359
2-Chloro-4-cyclopropyl-5-methylthiophen-3-amine
CID 114749360
2-Chloro-4-cyclopentylthiophen-3-amine
CID 114749369
2-Chloro-4-cyclohexylthiophen-3-amine
CID 114749375
2-Chloro-4-(1-methylcyclopropyl)thiophen-3-amine
CID 114749390
2-Chloro-4-(2-methylpropyl)thiophen-3-amine
CID 121599882
2-Chloro-4-cyclopropylthiophen-3-amine
CID 121599886

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-chlorothiophen-3-amine?
The IUPAC name of 4-butan-2-yl-2-chlorothiophen-3-amine (CID 114749335) is 4-butan-2-yl-2-chlorothiophen-3-amine.
What is the SMILES notation for 4-butan-2-yl-2-chlorothiophen-3-amine?
The canonical SMILES for 4-butan-2-yl-2-chlorothiophen-3-amine is CCC(C)c1csc(Cl)c1N.
What is the InChIKey of 4-butan-2-yl-2-chlorothiophen-3-amine?
The InChIKey is RFQOZQRMSMFFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNS/c1-3-5(2)6-4-11-8(9)7(6)10/h4-5H,3,10H2,1-2H3.
What are the key properties of 4-butan-2-yl-2-chlorothiophen-3-amine?
4-butan-2-yl-2-chlorothiophen-3-amine has a molecular weight of 189.71 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-chlorothiophen-3-amine is sourced from PubChem (CID 114749335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).