(3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine

C12H24N2O3S — CID 70727495

IUPAC(3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine
SMILESCC[C@H]1COCCN1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C12H24N2O3S/c1-2-12-11-17-10-9-14(12)18(15,16)13-7-5-3-4-6-8-13/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyIBURBSUWRCDDSS-LBPRGKRZSA-N
MW276.40 g/mol
LogP1.22
Rot. Bonds3

About (3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine

(3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine (PubChem CID 70727495) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is (3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine.

Molecular Properties

Compound Name(3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine
PubChem CID70727495
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name(3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine
SMILESCC[C@H]1COCCN1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C12H24N2O3S/c1-2-12-11-17-10-9-14(12)18(15,16)13-7-5-3-4-6-8-13/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyIBURBSUWRCDDSS-LBPRGKRZSA-N
XLogP1.22
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-ethylpiperidin-1-yl]sulfonylmorpholine
CID 94018182
methyl 4-(azepan-1-ylsulfonyl)morpholine-3-carboxylate
CID 115672152
3-ethyl-4-(pyrrolidin-2-ylmethylsulfonyl)morpholine
CID 54972436
3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine
CID 54972435
4-(azepan-1-ylsulfonyl)morpholine
CID 60708060
(3S)-4-(azepan-1-ylsulfonyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 129347380
4-(3-ethylmorpholin-4-yl)sulfonylbutanoic acid
CID 43612984
(3R)-4-ethylsulfonyl-3-methylmorpholine
CID 106833772
4-[(3-ethylmorpholin-4-yl)sulfonylmethyl]aniline
CID 43611643
4-[4-(bromomethyl)phenyl]sulfonyl-3-ethylmorpholine
CID 65480190
3-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 60823840
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545984

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine?
The IUPAC name of (3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine (CID 70727495) is (3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine.
What is the SMILES notation for (3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine?
The canonical SMILES for (3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine is CC[C@H]1COCCN1S(=O)(=O)N1CCCCCC1.
What is the InChIKey of (3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine?
The InChIKey is IBURBSUWRCDDSS-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-2-12-11-17-10-9-14(12)18(15,16)13-7-5-3-4-6-8-13/h12H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine?
(3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine has a molecular weight of 276.40 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(azepan-1-ylsulfonyl)-3-ethylmorpholine is sourced from PubChem (CID 70727495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).