N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide

C12H25N3O3S — CID 51077626

IUPACN,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C12H25N3O3S/c1-13(2)19(16,17)15-8-6-14(7-9-15)11-12-5-3-4-10-18-12/h12H,3-11H2,1-2H3
InChIKeyYCWPEGUOZLUWKF-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.02
Rot. Bonds4

About N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide

N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide (PubChem CID 51077626) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide
PubChem CID51077626
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C12H25N3O3S/c1-13(2)19(16,17)15-8-6-14(7-9-15)11-12-5-3-4-10-18-12/h12H,3-11H2,1-2H3
InChIKeyYCWPEGUOZLUWKF-UHFFFAOYSA-N
XLogP-0.02
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperidin-1-yl)sulfonyl-4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane
CID 124789621
1-(chloromethylsulfonyl)-4-(oxolan-2-ylmethyl)piperazine
CID 63666798
1-(2-bromophenyl)sulfonyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
CID 9289045
1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine
CID 94532597
1-(2-methoxyethyl)-4-[[(2S)-oxan-2-yl]methyl]piperazine
CID 94532596
1-(oxan-2-ylmethyl)piperazine
CID 14981447
1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde
CID 62655555
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
1-(3,5-difluorophenyl)sulfonyl-4-(oxolan-2-ylmethyl)-1,4-diazepane
CID 47034057
1-(2-chloroethyl)-4-(oxan-2-ylmethyl)-1,4-diazepane
CID 63387807
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646
4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine
CID 43591824

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide (CID 51077626) is N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(CC2CCCCO2)CC1.
What is the InChIKey of N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide?
The InChIKey is YCWPEGUOZLUWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-13(2)19(16,17)15-8-6-14(7-9-15)11-12-5-3-4-10-18-12/h12H,3-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide?
N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide has a molecular weight of 291.42 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(oxan-2-ylmethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 51077626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).