4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride

C9H20ClN3O3S — CID 22707010

IUPAC4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride
SMILESCl.O=S(=O)(N1CCCNCC1)N1CCOCC1
InChIInChI=1S/C9H19N3O3S.ClH/c13-16(14,12-6-8-15-9-7-12)11-4-1-2-10-3-5-11;/h10H,1-9H2;1H
InChIKeyIQUBTKLCZMSAPX-UHFFFAOYSA-N
MW285.80 g/mol
LogP-0.72
Rot. Bonds2

About 4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride

4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride (PubChem CID 22707010) has the molecular formula C9H20ClN3O3S and a molecular weight of 285.80 g/mol. Its IUPAC name is 4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride
PubChem CID22707010
Molecular FormulaC9H20ClN3O3S
Molecular Weight285.80 g/mol
Exact Mass285.09
IUPAC Name4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride
SMILESCl.O=S(=O)(N1CCCNCC1)N1CCOCC1
InChIInChI=1S/C9H19N3O3S.ClH/c13-16(14,12-6-8-15-9-7-12)11-4-1-2-10-3-5-11;/h10H,1-9H2;1H
InChIKeyIQUBTKLCZMSAPX-UHFFFAOYSA-N
XLogP-0.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-ylsulfonyl)morpholine
CID 60708060
4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
CID 1258870
molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride
CID 43842038
1-(4-methylpiperazin-1-yl)sulfonyl-1,4-diazepane
CID 28746723
1-(4-cyclopropylpiperazin-1-yl)sulfonyl-1,4-diazepane
CID 61441412
3-(1,4-diazepan-1-ylsulfonyl)-3-azaspiro[5.5]undecane
CID 62937963
2,6-dimethyl-4-piperazin-1-ylsulfonylmorpholine;hydrochloride
CID 119961532
4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane
CID 10839404
[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-morpholin-4-ylmethanone;hydrochloride
CID 119963161
morpholine;morpholine-4-sulfonyl chloride
CID 158164193
1-(oxolan-3-ylmethylsulfonyl)-1,4-diazepane;hydrochloride
CID 119963176
1-(4-propylpiperidin-1-yl)sulfonyl-1,4-diazepane
CID 62199444

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride?
The IUPAC name of 4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride (CID 22707010) is 4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride.
What is the SMILES notation for 4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride?
The canonical SMILES for 4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride is Cl.O=S(=O)(N1CCCNCC1)N1CCOCC1.
What is the InChIKey of 4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride?
The InChIKey is IQUBTKLCZMSAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S.ClH/c13-16(14,12-6-8-15-9-7-12)11-4-1-2-10-3-5-11;/h10H,1-9H2;1H.
What are the key properties of 4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride?
4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride has a molecular weight of 285.80 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazepan-1-ylsulfonyl)morpholine;hydrochloride is sourced from PubChem (CID 22707010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).