[(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea

C10H15N3O2S2 — CID 142686883

IUPAC[(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea
SMILESC[C@H](NC(N)=S)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C10H15N3O2S2/c1-7(12-10(11)16)8-3-5-9(6-4-8)13-17(2,14)15/h3-7,13H,1-2H3,(H3,11,12,16)/t7-/m0/s1
InChIKeyZVVCQVGMUKTANK-ZETCQYMHSA-N
MW273.38 g/mol
LogP0.95
Rot. Bonds4

About [(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea

[(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea (PubChem CID 142686883) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea.

Molecular Properties

Compound Name[(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea
PubChem CID142686883
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name[(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea
SMILESC[C@H](NC(N)=S)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C10H15N3O2S2/c1-7(12-10(11)16)8-3-5-9(6-4-8)13-17(2,14)15/h3-7,13H,1-2H3,(H3,11,12,16)/t7-/m0/s1
InChIKeyZVVCQVGMUKTANK-ZETCQYMHSA-N
XLogP0.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-[4-(methanesulfonamido)phenyl]acetamide
CID 57197585
[(1R)-1-phenylethyl]thiourea
CID 696701
2-(4-tert-butylphenoxy)-N-[1-[4-(methanesulfonamido)phenyl]ethyl]ethanethioamide
CID 87803381
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide
CID 55702907
(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 24685920
N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide
CID 24377
[(2R)-2-[[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]carbamothioylamino]-3-phenylpropyl] 2,2-dimethylpropanoate
CID 86298691
[2-[1-[4-(methanesulfonamido)phenyl]ethylcarbamothioylamino]-3-phenylpropyl] 2,2-dimethylpropanoate
CID 11454671
N'-[4-(methanesulfonamido)phenyl]-2-methylpropanediamide
CID 173077948
[(2R)-2-benzyl-3-[[(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]carbamothioylamino]propyl] 2,2-dimethylpropanoate
CID 87916665
[(2R)-2-benzyl-3-[1-[4-(methanesulfonamido)phenyl]ethylcarbamothioylamino]propyl] 2,2-dimethylpropanoate
CID 91183309
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 95086523

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea?
The IUPAC name of [(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea (CID 142686883) is [(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea.
What is the SMILES notation for [(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea?
The canonical SMILES for [(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea is C[C@H](NC(N)=S)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of [(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea?
The InChIKey is ZVVCQVGMUKTANK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-7(12-10(11)16)8-3-5-9(6-4-8)13-17(2,14)15/h3-7,13H,1-2H3,(H3,11,12,16)/t7-/m0/s1.
What are the key properties of [(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea?
[(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea has a molecular weight of 273.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[4-(methanesulfonamido)phenyl]ethyl]thiourea is sourced from PubChem (CID 142686883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).