4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine

C17H28N4O3S — CID 133322499

IUPAC4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
SMILESCCCN1CCCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C17H28N4O3S/c1-2-6-19-7-3-8-20(10-9-19)17-5-4-16(15-18-17)25(22,23)21-11-13-24-14-12-21/h4-5,15H,2-3,6-14H2,1H3
InChIKeyJYAJFHDXUKOQRL-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.02
Rot. Bonds5

About 4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine

4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine (PubChem CID 133322499) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
PubChem CID133322499
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
SMILESCCCN1CCCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C17H28N4O3S/c1-2-6-19-7-3-8-20(10-9-19)17-5-4-16(15-18-17)25(22,23)21-11-13-24-14-12-21/h4-5,15H,2-3,6-14H2,1H3
InChIKeyJYAJFHDXUKOQRL-UHFFFAOYSA-N
XLogP1.02
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-propyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 133322500
4-[[6-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 24595656
4-[[6-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 24595663
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
4-[[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9311875
4-[4-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]phenyl]sulfonylmorpholine
CID 23154459
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
(2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
CID 7042964
(1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol
CID 32605808
1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 16567822
4-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9186566
2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598564

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine (CID 133322499) is 4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine is CCCN1CCCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1.
What is the InChIKey of 4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is JYAJFHDXUKOQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-2-6-19-7-3-8-20(10-9-19)17-5-4-16(15-18-17)25(22,23)21-11-13-24-14-12-21/h4-5,15H,2-3,6-14H2,1H3.
What are the key properties of 4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine?
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 368.50 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 133322499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).