3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine

C14H18N4O2S2 — CID 133317905

IUPAC3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C14H18N4O2S2/c1-11-16-14(21-17-11)15-10-12-4-6-13(7-5-12)22(19,20)18-8-2-3-9-18/h4-7H,2-3,8-10H2,1H3,(H,15,16,17)
InChIKeyOAALCUAAECIMCQ-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.24
Rot. Bonds5

About 3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine

3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133317905) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID133317905
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C14H18N4O2S2/c1-11-16-14(21-17-11)15-10-12-4-6-13(7-5-12)22(19,20)18-8-2-3-9-18/h4-7H,2-3,8-10H2,1H3,(H,15,16,17)
InChIKeyOAALCUAAECIMCQ-UHFFFAOYSA-N
XLogP2.24
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-tert-butyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133383263
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826196
2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile
CID 133396475
5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133374222
5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133373024
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
2-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 55829240
2-amino-2-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 120589424
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7959042
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828049
2-[(4-methylphenyl)methylamino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824134

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 133317905) is 3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine is Cc1nsc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)n1.
What is the InChIKey of 3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is OAALCUAAECIMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-11-16-14(21-17-11)15-10-12-4-6-13(7-5-12)22(19,20)18-8-2-3-9-18/h4-7H,2-3,8-10H2,1H3,(H,15,16,17).
What are the key properties of 3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine?
3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 338.46 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133317905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).