(2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine

C10H14ClNS — CID 104971612

IUPAC(2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine
SMILESC[C@H](N)CSCc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNS/c1-8(12)6-13-7-9-2-4-10(11)5-3-9/h2-5,8H,6-7,12H2,1H3/t8-/m0/s1
InChIKeyVEEVPXWFNJCQDM-QMMMGPOBSA-N
MW215.75 g/mol
LogP2.92
Rot. Bonds4

About (2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine

(2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine (PubChem CID 104971612) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is (2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine
PubChem CID104971612
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name(2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine
SMILESC[C@H](N)CSCc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNS/c1-8(12)6-13-7-9-2-4-10(11)5-3-9/h2-5,8H,6-7,12H2,1H3/t8-/m0/s1
InChIKeyVEEVPXWFNJCQDM-QMMMGPOBSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-chlorophenyl)methylsulfanyl]pentan-2-amine
CID 114792656
3-amino-4-[(4-chlorophenyl)methylsulfanyl]butan-1-ol
CID 114792583
4-[(4-chlorophenyl)methylsulfanyl]pentan-2-amine
CID 114792499
1-(1,3-benzodioxol-5-ylmethylsulfanyl)propan-2-amine
CID 66218496
1-(4-chlorophenyl)propan-2-amine
CID 3127
1-[(4-chlorophenyl)methylsulfanyl]-3-(propan-2-ylamino)propan-2-ol
CID 114790545
4-[(4-chlorophenyl)methylsulfanyl]-2,2-dimethylbutan-1-amine
CID 114790761
(2S)-1-[(4-chlorophenyl)methylsulfanyl]-3-ethoxypropan-2-ol
CID 2058941
1-[(6-chloro-2-pyridinyl)methylsulfanyl]propan-2-amine
CID 79240487
methyl 3-[(4-chlorophenyl)methylsulfanyl]-2-phenylpropanoate
CID 114789998
1-(thiophen-2-ylmethylsulfanyl)propan-2-amine
CID 66217000
4-(4-chlorophenyl)-3-fluorobutan-2-amine
CID 105454010

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine?
The IUPAC name of (2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine (CID 104971612) is (2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine.
What is the SMILES notation for (2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine?
The canonical SMILES for (2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine is C[C@H](N)CSCc1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine?
The InChIKey is VEEVPXWFNJCQDM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-8(12)6-13-7-9-2-4-10(11)5-3-9/h2-5,8H,6-7,12H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine?
(2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine has a molecular weight of 215.75 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine is sourced from PubChem (CID 104971612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).