5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline

C11H16ClNS — CID 82264840

IUPAC5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline
SMILESCCNc1cc(Cl)ccc1SC(C)C
InChIInChI=1S/C11H16ClNS/c1-4-13-10-7-9(12)5-6-11(10)14-8(2)3/h5-8,13H,4H2,1-3H3
InChIKeyWZZSRYNVCYWEOW-UHFFFAOYSA-N
MW229.78 g/mol
LogP4.27
Rot. Bonds4

About 5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline

5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline (PubChem CID 82264840) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline
PubChem CID82264840
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline
SMILESCCNc1cc(Cl)ccc1SC(C)C
InChIInChI=1S/C11H16ClNS/c1-4-13-10-7-9(12)5-6-11(10)14-8(2)3/h5-8,13H,4H2,1-3H3
InChIKeyWZZSRYNVCYWEOW-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-N,2-N-diethylbenzene-1,2-diamine
CID 68788018
4-chloro-2-(ethylamino)phenol
CID 15847212
N-(5-chloro-2-propan-2-ylsulfanylphenyl)-3-methylsulfonylpropanamide
CID 56827237
N-(5-chloro-2-propan-2-ylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119776592
1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine
CID 82553451
3-[(5-chloro-2-propan-2-ylsulfanylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122079558
3-[(5-chloro-2-propan-2-ylsulfanylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079562
1-(5-chloro-2-propan-2-ylsulfanylphenyl)propan-1-one
CID 82264832
4-chloro-1-N-ethyl-2-N-methoxybenzene-1,2-diamine
CID 171534963
(5-chloro-2-propan-2-ylsulfanylphenyl)methanamine;hydrochloride
CID 66878534
N-[(4-chloro-2-propan-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 114864462
5-chloro-N-ethyl-2-phenylaniline
CID 156564170

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline?
The IUPAC name of 5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline (CID 82264840) is 5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline.
What is the SMILES notation for 5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline?
The canonical SMILES for 5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline is CCNc1cc(Cl)ccc1SC(C)C.
What is the InChIKey of 5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline?
The InChIKey is WZZSRYNVCYWEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-4-13-10-7-9(12)5-6-11(10)14-8(2)3/h5-8,13H,4H2,1-3H3.
What are the key properties of 5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline?
5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline has a molecular weight of 229.78 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-propan-2-ylsulfanylaniline is sourced from PubChem (CID 82264840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).