1-methyl-4-piperidin-1-ylsulfonyl-1,4-diazepane

C11H23N3O2S — CID 91369347

IUPAC1-methyl-4-piperidin-1-ylsulfonyl-1,4-diazepane
SMILESCN1CCCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C11H23N3O2S/c1-12-6-5-9-14(11-10-12)17(15,16)13-7-3-2-4-8-13/h2-11H2,1H3
InChIKeyVOKMQIBFIDVPMB-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.35
Rot. Bonds2

About 1-methyl-4-piperidin-1-ylsulfonyl-1,4-diazepane

1-methyl-4-piperidin-1-ylsulfonyl-1,4-diazepane (PubChem CID 91369347) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-methyl-4-piperidin-1-ylsulfonyl-1,4-diazepane.

Molecular Properties

Compound Name1-methyl-4-piperidin-1-ylsulfonyl-1,4-diazepane
PubChem CID91369347
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name1-methyl-4-piperidin-1-ylsulfonyl-1,4-diazepane
SMILESCN1CCCN(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C11H23N3O2S/c1-12-6-5-9-14(11-10-12)17(15,16)13-7-3-2-4-8-13/h2-11H2,1H3
InChIKeyVOKMQIBFIDVPMB-UHFFFAOYSA-N
XLogP0.35
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-(2-methylpiperidin-1-yl)sulfonyl-1,4-diazepane
CID 45811040
4-(azepan-1-ylsulfonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 6484310
1-(3,5-Dimethylpiperidin-1-yl)sulfonyl-4-ethyl-1,4-diazepane
CID 53590147
4-Hexylpiperazine-1-sulfinate
CID 57000736
4-Pentylpiperazine-1-sulfinate
CID 57184185
4-butyl-N,N-dimethylpiperazine-1-sulfonamide
CID 58602994
4-butyl-N,N-dimethylpiperazine-1-sulfonamide
CID 58602995
N,N,4-trimethyl-1,4-diazepane-1-sulfonamide
CID 59786715
4-Pentylpiperazine-1-sulfonamide
CID 60325568
1-[3-[Methyl(sulfinato)amino]propyl]piperidine
CID 69180179
1-Ethyl-4-(2-piperidin-1-ylethyl)-1,4-diazepane
CID 70827953
N-butyl-4-methyl-N-propylpiperazine-1-sulfonamide
CID 71199229

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-piperidin-1-ylsulfonyl-1,4-diazepane?
The IUPAC name of 1-methyl-4-piperidin-1-ylsulfonyl-1,4-diazepane (CID 91369347) is 1-methyl-4-piperidin-1-ylsulfonyl-1,4-diazepane.
What is the SMILES notation for 1-methyl-4-piperidin-1-ylsulfonyl-1,4-diazepane?
The canonical SMILES for 1-methyl-4-piperidin-1-ylsulfonyl-1,4-diazepane is CN1CCCN(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-methyl-4-piperidin-1-ylsulfonyl-1,4-diazepane?
The InChIKey is VOKMQIBFIDVPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-12-6-5-9-14(11-10-12)17(15,16)13-7-3-2-4-8-13/h2-11H2,1H3.
What are the key properties of 1-methyl-4-piperidin-1-ylsulfonyl-1,4-diazepane?
1-methyl-4-piperidin-1-ylsulfonyl-1,4-diazepane has a molecular weight of 261.39 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-piperidin-1-ylsulfonyl-1,4-diazepane is sourced from PubChem (CID 91369347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).