N-(2,5-dimethylphenyl)sulfanylmethanamine

C9H13NS — CID 117033774

IUPACN-(2,5-dimethylphenyl)sulfanylmethanamine
SMILESCNSc1cc(C)ccc1C
InChIInChI=1S/C9H13NS/c1-7-4-5-8(2)9(6-7)11-10-3/h4-6,10H,1-3H3
InChIKeyUIWBZXXSAUOILQ-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.53
Rot. Bonds2

About N-(2,5-dimethylphenyl)sulfanylmethanamine

N-(2,5-dimethylphenyl)sulfanylmethanamine (PubChem CID 117033774) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)sulfanylmethanamine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)sulfanylmethanamine
PubChem CID117033774
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC NameN-(2,5-dimethylphenyl)sulfanylmethanamine
SMILESCNSc1cc(C)ccc1C
InChIInChI=1S/C9H13NS/c1-7-4-5-8(2)9(6-7)11-10-3/h4-6,10H,1-3H3
InChIKeyUIWBZXXSAUOILQ-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethylphenyl)sulfanylethanamine
CID 117032475
2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine
CID 117035500
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64648242
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64650586
S-(2,5-dimethylphenyl) carbamothioate
CID 117035966
6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine
CID 80893702
2-(2,5-dimethylphenyl)sulfanylacetonitrile
CID 3277206
1,2,4-trimethylbenzene
CID 7247
1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 115995797
(2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7458289
N-bromo-2,5-dimethylaniline
CID 154170384
2-(2,5-dimethylphenyl)sulfanylpropanoic acid
CID 16785629

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)sulfanylmethanamine?
The IUPAC name of N-(2,5-dimethylphenyl)sulfanylmethanamine (CID 117033774) is N-(2,5-dimethylphenyl)sulfanylmethanamine.
What is the SMILES notation for N-(2,5-dimethylphenyl)sulfanylmethanamine?
The canonical SMILES for N-(2,5-dimethylphenyl)sulfanylmethanamine is CNSc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)sulfanylmethanamine?
The InChIKey is UIWBZXXSAUOILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-7-4-5-8(2)9(6-7)11-10-3/h4-6,10H,1-3H3.
What are the key properties of N-(2,5-dimethylphenyl)sulfanylmethanamine?
N-(2,5-dimethylphenyl)sulfanylmethanamine has a molecular weight of 167.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)sulfanylmethanamine is sourced from PubChem (CID 117033774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).