5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine

C12H22N6O2S2 — CID 146043275

IUPAC5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(N2CCCN(S(=O)(=O)N3CCCCC3)CC2)s1
InChIInChI=1S/C12H22N6O2S2/c13-11-14-15-12(21-11)16-5-4-8-18(10-9-16)22(19,20)17-6-2-1-3-7-17/h1-10H2,(H2,13,14)
InChIKeyIXUMAOHUXHSJAO-UHFFFAOYSA-N
MW346.48 g/mol
LogP0.36
Rot. Bonds3

About 5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine

5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 146043275) has the molecular formula C12H22N6O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine
PubChem CID146043275
Molecular FormulaC12H22N6O2S2
Molecular Weight346.48 g/mol
Exact Mass346.12
IUPAC Name5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(N2CCCN(S(=O)(=O)N3CCCCC3)CC2)s1
InChIInChI=1S/C12H22N6O2S2/c13-11-14-15-12(21-11)16-5-4-8-18(10-9-16)22(19,20)17-6-2-1-3-7-17/h1-10H2,(H2,13,14)
InChIKeyIXUMAOHUXHSJAO-UHFFFAOYSA-N
XLogP0.36
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
1,4-bis(pyrrolidin-1-ylsulfonyl)-1,4-diazepane
CID 39730535
5-pyrrolidin-1-ylsulfonyl-1,3,4-thiadiazol-2-amine
CID 82083105
3-pyrrolidin-1-yl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyridazine
CID 122334543
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 6917210
2-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 102575646
4,5-dimethyl-6-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 72840000
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylic acid
CID 122172593
1-pyrrolidin-1-ylsulfonyl-4-(4,5,6-trimethylpyrimidin-2-yl)-1,4-diazepane
CID 163318592
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 146046523
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidin-4-ol
CID 68709720
1-[4-(5-amino-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 174538507

Frequently Asked Questions

What is the IUPAC name of 5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine (CID 146043275) is 5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine is Nc1nnc(N2CCCN(S(=O)(=O)N3CCCCC3)CC2)s1.
What is the InChIKey of 5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is IXUMAOHUXHSJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2S2/c13-11-14-15-12(21-11)16-5-4-8-18(10-9-16)22(19,20)17-6-2-1-3-7-17/h1-10H2,(H2,13,14).
What are the key properties of 5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine?
5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 346.48 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 146043275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).