4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide

C12H26N4O3S — CID 124565728

IUPAC4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide
SMILESCC(C)N1CCO[C@H](CN2CCN(S(N)(=O)=O)CC2)C1
InChIInChI=1S/C12H26N4O3S/c1-11(2)15-7-8-19-12(10-15)9-14-3-5-16(6-4-14)20(13,17)18/h11-12H,3-10H2,1-2H3,(H2,13,17,18)/t12-/m1/s1
InChIKeySQKHLFKBESQOAB-GFCCVEGCSA-N
MW306.43 g/mol
LogP-1.08
Rot. Bonds4

About 4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide

4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide (PubChem CID 124565728) has the molecular formula C12H26N4O3S and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide
PubChem CID124565728
Molecular FormulaC12H26N4O3S
Molecular Weight306.43 g/mol
Exact Mass306.17
IUPAC Name4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide
SMILESCC(C)N1CCO[C@H](CN2CCN(S(N)(=O)=O)CC2)C1
InChIInChI=1S/C12H26N4O3S/c1-11(2)15-7-8-19-12(10-15)9-14-3-5-16(6-4-14)20(13,17)18/h11-12H,3-10H2,1-2H3,(H2,13,17,18)/t12-/m1/s1
InChIKeySQKHLFKBESQOAB-GFCCVEGCSA-N
XLogP-1.08
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 153485962
2-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 64533682
2-[[4-(2-bromoethyl)-1,4-diazepan-1-yl]methyl]-4-propan-2-ylmorpholine
CID 80667744
4-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-amine
CID 64532750
8-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 78994145
methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate
CID 64533750
3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine
CID 81458873
1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone
CID 64532918
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64532739
1-piperazin-1-yl-3-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]propan-1-one;trihydrochloride
CID 120983013
2-[[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]methyl]-4-propan-2-ylmorpholine
CID 64850456
methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate
CID 115537318

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide (CID 124565728) is 4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide is CC(C)N1CCO[C@H](CN2CCN(S(N)(=O)=O)CC2)C1.
What is the InChIKey of 4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide?
The InChIKey is SQKHLFKBESQOAB-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H26N4O3S/c1-11(2)15-7-8-19-12(10-15)9-14-3-5-16(6-4-14)20(13,17)18/h11-12H,3-10H2,1-2H3,(H2,13,17,18)/t12-/m1/s1.
What are the key properties of 4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide?
4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of -1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 124565728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).