N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine

C6H11N3O2S2 — CID 65271759

IUPACN-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCS(=O)(=O)CCCNc1ncns1
InChIInChI=1S/C6H11N3O2S2/c1-13(10,11)4-2-3-7-6-8-5-9-12-6/h5H,2-4H2,1H3,(H,7,8,9)
InChIKeyRFCAQVFJQDHFAN-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.38
Rot. Bonds5

About N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine

N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271759) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271759
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC NameN-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCS(=O)(=O)CCCNc1ncns1
InChIInChI=1S/C6H11N3O2S2/c1-13(10,11)4-2-3-7-6-8-5-9-12-6/h5H,2-4H2,1H3,(H,7,8,9)
InChIKeyRFCAQVFJQDHFAN-UHFFFAOYSA-N
XLogP0.38
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-[3-(1,2,4-thiadiazol-3-ylsulfanyl)propyl]thiourea
CID 20557789
3-methyl-N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268266
N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
CID 65271057
N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271071
N-ethyl-N-[3-(1,2,4-thiadiazol-5-ylamino)propyl]methanesulfonamide
CID 65271240
N-[2-(1,2,4-thiadiazol-5-ylamino)ethyl]methanesulfonamide
CID 65271450
2-(1,2,4-Thiadiazol-5-ylamino)ethanesulfonamide
CID 65271506
N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine
CID 65271623
N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65271714
N-(3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine
CID 65273706
N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine
CID 65273816
N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65273940

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine (CID 65271759) is N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine is CS(=O)(=O)CCCNc1ncns1.
What is the InChIKey of N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RFCAQVFJQDHFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c1-13(10,11)4-2-3-7-6-8-5-9-12-6/h5H,2-4H2,1H3,(H,7,8,9).
What are the key properties of N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine?
N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 221.31 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).