(3S)-N-(2-chlorophenyl)thian-3-amine

C11H14ClNS — CID 94885671

IUPAC(3S)-N-(2-chlorophenyl)thian-3-amine
SMILESClc1ccccc1N[C@H]1CCCSC1
InChIInChI=1S/C11H14ClNS/c12-10-5-1-2-6-11(10)13-9-4-3-7-14-8-9/h1-2,5-6,9,13H,3-4,7-8H2/t9-/m0/s1
InChIKeyAZVDPFSUIPCMIA-VIFPVBQESA-N
MW227.76 g/mol
LogP3.65
Rot. Bonds2

About (3S)-N-(2-chlorophenyl)thian-3-amine

(3S)-N-(2-chlorophenyl)thian-3-amine (PubChem CID 94885671) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is (3S)-N-(2-chlorophenyl)thian-3-amine.

Molecular Properties

Compound Name(3S)-N-(2-chlorophenyl)thian-3-amine
PubChem CID94885671
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name(3S)-N-(2-chlorophenyl)thian-3-amine
SMILESClc1ccccc1N[C@H]1CCCSC1
InChIInChI=1S/C11H14ClNS/c12-10-5-1-2-6-11(10)13-9-4-3-7-14-8-9/h1-2,5-6,9,13H,3-4,7-8H2/t9-/m0/s1
InChIKeyAZVDPFSUIPCMIA-VIFPVBQESA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-chlorophenyl)thian-3-amine
CID 62913384
N-(2,3-dichlorophenyl)thiolan-3-amine
CID 43209589
[2-(thian-3-ylamino)phenyl]methanol
CID 62873092
N-(2-chloro-5-methoxyphenyl)thian-3-amine
CID 62871830
N-(2-propylphenyl)thian-3-amine
CID 62871075
N-[2-(trifluoromethylsulfanyl)phenyl]thian-3-amine
CID 62871791
N-(2-propan-2-yloxyphenyl)thian-3-amine
CID 62871809
N-(3-fluoro-2-methylphenyl)thian-3-amine
CID 62871831
N-(5,6,7,8-tetrahydronaphthalen-1-yl)thian-3-amine
CID 62872683
N-(2,6-dichlorophenyl)thiolan-3-amine
CID 65467790
N-[1-(2-chlorophenyl)ethyl]thian-3-amine
CID 62873606
N-(2-chlorophenyl)oxepan-4-amine
CID 65076772

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-chlorophenyl)thian-3-amine?
The IUPAC name of (3S)-N-(2-chlorophenyl)thian-3-amine (CID 94885671) is (3S)-N-(2-chlorophenyl)thian-3-amine.
What is the SMILES notation for (3S)-N-(2-chlorophenyl)thian-3-amine?
The canonical SMILES for (3S)-N-(2-chlorophenyl)thian-3-amine is Clc1ccccc1N[C@H]1CCCSC1.
What is the InChIKey of (3S)-N-(2-chlorophenyl)thian-3-amine?
The InChIKey is AZVDPFSUIPCMIA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14ClNS/c12-10-5-1-2-6-11(10)13-9-4-3-7-14-8-9/h1-2,5-6,9,13H,3-4,7-8H2/t9-/m0/s1.
What are the key properties of (3S)-N-(2-chlorophenyl)thian-3-amine?
(3S)-N-(2-chlorophenyl)thian-3-amine has a molecular weight of 227.76 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-chlorophenyl)thian-3-amine is sourced from PubChem (CID 94885671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).