1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane

C14H21N3O2S — CID 163346171

IUPAC1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane
SMILESCc1cccc(N2CCCN(S(=O)(=O)C3CC3)CC2)n1
InChIInChI=1S/C14H21N3O2S/c1-12-4-2-5-14(15-12)16-8-3-9-17(11-10-16)20(18,19)13-6-7-13/h2,4-5,13H,3,6-11H2,1H3
InChIKeyPIZLDSNXTGJQRQ-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.39
Rot. Bonds3

About 1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane

1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane (PubChem CID 163346171) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane
PubChem CID163346171
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane
SMILESCc1cccc(N2CCCN(S(=O)(=O)C3CC3)CC2)n1
InChIInChI=1S/C14H21N3O2S/c1-12-4-2-5-14(15-12)16-8-3-9-17(11-10-16)20(18,19)13-6-7-13/h2,4-5,13H,3,6-11H2,1H3
InChIKeyPIZLDSNXTGJQRQ-UHFFFAOYSA-N
XLogP1.39
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-1-yl)-6-methylpyridine
CID 54182749
3,5-dimethyl-4-[[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]sulfonyl]-1,2-oxazole
CID 133481686
ethane;N-methylmethanamine;2-methyl-6-pyrrolidin-1-ylpyridine
CID 156652479
1-(3-methylphenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 3716411
N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide
CID 124974868
2-(4-cyclopropylsulfonylpiperazin-1-yl)quinoline
CID 108782981
1-(4-fluorophenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 4585375
1-(4-bromophenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 3264362
2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
CID 138020046
1-(3-bromo-2-pyridinyl)-4-cyclopropylsulfonyl-1,4-diazepane
CID 163343947
2-methyl-1-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-one
CID 133482860
2-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-6-methyl-1,3-benzothiazole
CID 154582853

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane?
The IUPAC name of 1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane (CID 163346171) is 1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane?
The canonical SMILES for 1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane is Cc1cccc(N2CCCN(S(=O)(=O)C3CC3)CC2)n1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane?
The InChIKey is PIZLDSNXTGJQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-12-4-2-5-14(15-12)16-8-3-9-17(11-10-16)20(18,19)13-6-7-13/h2,4-5,13H,3,6-11H2,1H3.
What are the key properties of 1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane?
1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane has a molecular weight of 295.41 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane is sourced from PubChem (CID 163346171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).