(5-methyl-2H-triazol-4-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone

C14H24N6O3S — CID 118793458

IUPAC(5-methyl-2H-triazol-4-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone
SMILESCc1n[nH]nc1C(=O)N1CCCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H24N6O3S/c1-12-13(16-17-15-12)14(21)18-6-5-9-20(11-10-18)24(22,23)19-7-3-2-4-8-19/h2-11H2,1H3,(H,15,16,17)
InChIKeyNANZXQUQLLMKCA-UHFFFAOYSA-N
MW356.45 g/mol
LogP-0.01
Rot. Bonds3

About (5-methyl-2H-triazol-4-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone

(5-methyl-2H-triazol-4-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone (PubChem CID 118793458) has the molecular formula C14H24N6O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is (5-methyl-2H-triazol-4-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-2H-triazol-4-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone
PubChem CID118793458
Molecular FormulaC14H24N6O3S
Molecular Weight356.45 g/mol
Exact Mass356.16
IUPAC Name(5-methyl-2H-triazol-4-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone
SMILESCc1n[nH]nc1C(=O)N1CCCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H24N6O3S/c1-12-13(16-17-15-12)14(21)18-6-5-9-20(11-10-18)24(22,23)19-7-3-2-4-8-19/h2-11H2,1H3,(H,15,16,17)
InChIKeyNANZXQUQLLMKCA-UHFFFAOYSA-N
XLogP-0.01
TPSA102.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dichloro-4-methylphenyl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 131917887
(1,2-dimethylpyrrol-3-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 118770208
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 18169368
3-(2,5-dimethylpyrrol-1-yl)-1-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)propan-1-one
CID 121240840
[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110810544
3-(azepane-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65367872
3-(azocane-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 65374466
[4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-2H-triazol-4-yl)methanone
CID 110691694
1,4-bis(pyrrolidin-1-ylsulfonyl)-1,4-diazepane
CID 39730535
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
[2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 77097002
1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 24669751

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2H-triazol-4-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (5-methyl-2H-triazol-4-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone (CID 118793458) is (5-methyl-2H-triazol-4-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (5-methyl-2H-triazol-4-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (5-methyl-2H-triazol-4-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone is Cc1n[nH]nc1C(=O)N1CCCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of (5-methyl-2H-triazol-4-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone?
The InChIKey is NANZXQUQLLMKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O3S/c1-12-13(16-17-15-12)14(21)18-6-5-9-20(11-10-18)24(22,23)19-7-3-2-4-8-19/h2-11H2,1H3,(H,15,16,17).
What are the key properties of (5-methyl-2H-triazol-4-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone?
(5-methyl-2H-triazol-4-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone has a molecular weight of 356.45 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2H-triazol-4-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 118793458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).