N-(3-methylsulfonylpropyl)thian-4-amine

C9H19NO2S2 — CID 61020529

IUPACN-(3-methylsulfonylpropyl)thian-4-amine
SMILESCS(=O)(=O)CCCNC1CCSCC1
InChIInChI=1S/C9H19NO2S2/c1-14(11,12)8-2-5-10-9-3-6-13-7-4-9/h9-10H,2-8H2,1H3
InChIKeyOBPZRXJDIBNZHV-UHFFFAOYSA-N
MW237.39 g/mol
LogP0.91
Rot. Bonds5

About N-(3-methylsulfonylpropyl)thian-4-amine

N-(3-methylsulfonylpropyl)thian-4-amine (PubChem CID 61020529) has the molecular formula C9H19NO2S2 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)thian-4-amine.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)thian-4-amine
PubChem CID61020529
Molecular FormulaC9H19NO2S2
Molecular Weight237.39 g/mol
Exact Mass237.09
IUPAC NameN-(3-methylsulfonylpropyl)thian-4-amine
SMILESCS(=O)(=O)CCCNC1CCSCC1
InChIInChI=1S/C9H19NO2S2/c1-14(11,12)8-2-5-10-9-3-6-13-7-4-9/h9-10H,2-8H2,1H3
InChIKeyOBPZRXJDIBNZHV-UHFFFAOYSA-N
XLogP0.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-methylsulfonylpropyl)thian-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-propylsulfonylethyl)thian-4-amine
CID 106724514
4,4-dimethyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65083791
4-methyl-N-(3-methylsulfonylpropyl)cycloheptan-1-amine
CID 65080083
N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine
CID 63658882
N-(3-methylsulfonylpropyl)pyrrolidin-3-amine
CID 79747715
1-ethyl-N-(3-methylsulfonylpropyl)azepan-4-amine
CID 65073233
N-(5-methoxypentyl)thian-4-amine
CID 103631860
N-(3-tert-butylsulfonylpropyl)cyclopropanamine
CID 64645174
2-(cyclopentylamino)-N-(3-methylsulfonylpropyl)acetamide
CID 54904868
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523
trans-(1S,2S)-2-(3-methylsulfonylpropylamino)cyclohexan-1-ol
CID 93451135
2-(3-methylsulfonylpropylamino)cyclopentan-1-ol
CID 61036604

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)thian-4-amine?
The IUPAC name of N-(3-methylsulfonylpropyl)thian-4-amine (CID 61020529) is N-(3-methylsulfonylpropyl)thian-4-amine.
What is the SMILES notation for N-(3-methylsulfonylpropyl)thian-4-amine?
The canonical SMILES for N-(3-methylsulfonylpropyl)thian-4-amine is CS(=O)(=O)CCCNC1CCSCC1.
What is the InChIKey of N-(3-methylsulfonylpropyl)thian-4-amine?
The InChIKey is OBPZRXJDIBNZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S2/c1-14(11,12)8-2-5-10-9-3-6-13-7-4-9/h9-10H,2-8H2,1H3.
What are the key properties of N-(3-methylsulfonylpropyl)thian-4-amine?
N-(3-methylsulfonylpropyl)thian-4-amine has a molecular weight of 237.39 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)thian-4-amine is sourced from PubChem (CID 61020529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).