(3S)-N-(2-iodophenyl)thiolan-3-amine

C10H12INS — CID 93023740

IUPAC(3S)-N-(2-iodophenyl)thiolan-3-amine
SMILESIc1ccccc1N[C@H]1CCSC1
InChIInChI=1S/C10H12INS/c11-9-3-1-2-4-10(9)12-8-5-6-13-7-8/h1-4,8,12H,5-7H2/t8-/m0/s1
InChIKeyLOTSSAPPPJPAMA-QMMMGPOBSA-N
MW305.18 g/mol
LogP3.21
Rot. Bonds2

About (3S)-N-(2-iodophenyl)thiolan-3-amine

(3S)-N-(2-iodophenyl)thiolan-3-amine (PubChem CID 93023740) has the molecular formula C10H12INS and a molecular weight of 305.18 g/mol. Its IUPAC name is (3S)-N-(2-iodophenyl)thiolan-3-amine.

Molecular Properties

Compound Name(3S)-N-(2-iodophenyl)thiolan-3-amine
PubChem CID93023740
Molecular FormulaC10H12INS
Molecular Weight305.18 g/mol
Exact Mass304.97
IUPAC Name(3S)-N-(2-iodophenyl)thiolan-3-amine
SMILESIc1ccccc1N[C@H]1CCSC1
InChIInChI=1S/C10H12INS/c11-9-3-1-2-4-10(9)12-8-5-6-13-7-8/h1-4,8,12H,5-7H2/t8-/m0/s1
InChIKeyLOTSSAPPPJPAMA-QMMMGPOBSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-iodo-1-N-(thiolan-3-yl)benzene-1,4-diamine
CID 103062329
N-(2,3-dichlorophenyl)thiolan-3-amine
CID 43209589
N-(2-ethoxyphenyl)thiolan-3-amine
CID 43191691
N-(2-cyclopentylsulfanylphenyl)thiolan-3-amine
CID 43737722
(3S)-N-(2-chlorophenyl)thian-3-amine
CID 94885671
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]thiolan-3-amine
CID 43691344
N-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine
CID 43715883
N-(2,6-dichlorophenyl)thiolan-3-amine
CID 65467790
N-(3-iodo-4-methylphenyl)thiolan-3-amine
CID 43716162
N-cyclopentyl-2-iodoaniline;2-iodoaniline
CID 159046198
N-(2-iodophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43773476
tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate
CID 107240241

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-iodophenyl)thiolan-3-amine?
The IUPAC name of (3S)-N-(2-iodophenyl)thiolan-3-amine (CID 93023740) is (3S)-N-(2-iodophenyl)thiolan-3-amine.
What is the SMILES notation for (3S)-N-(2-iodophenyl)thiolan-3-amine?
The canonical SMILES for (3S)-N-(2-iodophenyl)thiolan-3-amine is Ic1ccccc1N[C@H]1CCSC1.
What is the InChIKey of (3S)-N-(2-iodophenyl)thiolan-3-amine?
The InChIKey is LOTSSAPPPJPAMA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12INS/c11-9-3-1-2-4-10(9)12-8-5-6-13-7-8/h1-4,8,12H,5-7H2/t8-/m0/s1.
What are the key properties of (3S)-N-(2-iodophenyl)thiolan-3-amine?
(3S)-N-(2-iodophenyl)thiolan-3-amine has a molecular weight of 305.18 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-iodophenyl)thiolan-3-amine is sourced from PubChem (CID 93023740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).