1-morpholin-2-ylbutane-1-sulfonamide

C8H18N2O3S — CID 68741574

IUPAC1-morpholin-2-ylbutane-1-sulfonamide
SMILESCCCC(C1CNCCO1)S(N)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-2-3-8(14(9,11)12)7-6-10-4-5-13-7/h7-8,10H,2-6H2,1H3,(H2,9,11,12)
InChIKeyKIHJLNLMXPAINK-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.57
Rot. Bonds4

About 1-morpholin-2-ylbutane-1-sulfonamide

1-morpholin-2-ylbutane-1-sulfonamide (PubChem CID 68741574) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-morpholin-2-ylbutane-1-sulfonamide.

Molecular Properties

Compound Name1-morpholin-2-ylbutane-1-sulfonamide
PubChem CID68741574
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name1-morpholin-2-ylbutane-1-sulfonamide
SMILESCCCC(C1CNCCO1)S(N)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-2-3-8(14(9,11)12)7-6-10-4-5-13-7/h7-8,10H,2-6H2,1H3,(H2,9,11,12)
InChIKeyKIHJLNLMXPAINK-UHFFFAOYSA-N
XLogP-0.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Piperidine-3-sulfonyl)morpholine
CID 22263137
N-methyl-1-(morpholin-2-yl)methanesulfonamide hydrochloride
CID 134691047
N-[3-[methyl(oxan-2-ylmethyl)amino]propyl]methanesulfonamide
CID 71937102
(3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide
CID 97216357
1-(oxan-2-yl)-N-piperidin-4-yl-N-propylmethanesulfonamide
CID 119042780
Morpholine, 4-piperidinosulfonyl-
CID 144465
N-(2-piperidin-4-yloxyethyl)methanesulfonamide
CID 20511189
(4-Ethylsulfonylmorpholin-2-yl)methanamine
CID 24262618
[(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine
CID 42252747
[(2R)-4-ethylsulfonylmorpholin-2-yl]methanamine
CID 42252751
N,N-dimethyl-2-piperidin-4-yloxyethanesulfonamide
CID 58495800
N-(2-methoxyethyl)piperidine-4-sulfonamide
CID 61545743

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-2-ylbutane-1-sulfonamide?
The IUPAC name of 1-morpholin-2-ylbutane-1-sulfonamide (CID 68741574) is 1-morpholin-2-ylbutane-1-sulfonamide.
What is the SMILES notation for 1-morpholin-2-ylbutane-1-sulfonamide?
The canonical SMILES for 1-morpholin-2-ylbutane-1-sulfonamide is CCCC(C1CNCCO1)S(N)(=O)=O.
What is the InChIKey of 1-morpholin-2-ylbutane-1-sulfonamide?
The InChIKey is KIHJLNLMXPAINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-2-3-8(14(9,11)12)7-6-10-4-5-13-7/h7-8,10H,2-6H2,1H3,(H2,9,11,12).
What are the key properties of 1-morpholin-2-ylbutane-1-sulfonamide?
1-morpholin-2-ylbutane-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-2-ylbutane-1-sulfonamide is sourced from PubChem (CID 68741574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).