1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane

C14H28N4O2S — CID 63170432

IUPAC1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane
SMILESO=S(=O)(N1CCCNCC1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H28N4O2S/c19-21(20,17-10-4-6-15-7-12-17)18-11-5-14(13-18)16-8-2-1-3-9-16/h14-15H,1-13H2
InChIKeyMUKPMSUMJFWCTD-UHFFFAOYSA-N
MW316.47 g/mol
LogP0.09
Rot. Bonds3

About 1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane

1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane (PubChem CID 63170432) has the molecular formula C14H28N4O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane.

Molecular Properties

Compound Name1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane
PubChem CID63170432
Molecular FormulaC14H28N4O2S
Molecular Weight316.47 g/mol
Exact Mass316.19
IUPAC Name1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane
SMILESO=S(=O)(N1CCCNCC1)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H28N4O2S/c19-21(20,17-10-4-6-15-7-12-17)18-11-5-14(13-18)16-8-2-1-3-9-16/h14-15H,1-13H2
InChIKeyMUKPMSUMJFWCTD-UHFFFAOYSA-N
XLogP0.09
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine
CID 61243717
3-(1,4-diazepan-1-ylsulfonyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79174228
1-(4-cyclopropylpiperazin-1-yl)sulfonyl-1,4-diazepane
CID 61441412
1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine
CID 80553921
molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride
CID 43842038
1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane
CID 28746723
1-(3-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
CID 119961883
1-(4-propylpiperidin-1-yl)sulfonyl-1,4-diazepane
CID 62199444
3-(1,4-diazepan-1-ylsulfonyl)-3-azaspiro[5.5]undecane
CID 62937963
3-pyrrolidin-1-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989191
4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride
CID 22707010
1-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane
CID 55217738

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane?
The IUPAC name of 1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane (CID 63170432) is 1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane.
What is the SMILES notation for 1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane?
The canonical SMILES for 1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane is O=S(=O)(N1CCCNCC1)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane?
The InChIKey is MUKPMSUMJFWCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S/c19-21(20,17-10-4-6-15-7-12-17)18-11-5-14(13-18)16-8-2-1-3-9-16/h14-15H,1-13H2.
What are the key properties of 1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane?
1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane has a molecular weight of 316.47 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonyl-1,4-diazepane is sourced from PubChem (CID 63170432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).