4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide

C9H21N3O3S — CID 39354945

IUPAC4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1(O)CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H21N3O3S/c1-10-8-9(13)4-6-12(7-5-9)16(14,15)11(2)3/h10,13H,4-8H2,1-3H3
InChIKeySRYWPRYKGBNBLT-UHFFFAOYSA-N
MW251.35 g/mol
LogP-1.16
Rot. Bonds4

About 4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide

4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 39354945) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID39354945
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1(O)CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H21N3O3S/c1-10-8-9(13)4-6-12(7-5-9)16(14,15)11(2)3/h10,13H,4-8H2,1-3H3
InChIKeySRYWPRYKGBNBLT-UHFFFAOYSA-N
XLogP-1.16
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-hydroxy-N,N-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-1-sulfonamide
CID 124975025
4-(methylaminomethyl)-1-propan-2-ylpiperidin-4-ol
CID 39237893
1-ethylsulfonyl-4-[(propan-2-ylamino)methyl]piperidin-4-ol
CID 39364290
1-[4-(dimethylamino)phenyl]-4-(methylaminomethyl)piperidin-4-ol
CID 82303443
2-ethyl-1-[4-hydroxy-4-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 39347040
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxy-N,N-dimethylpyrrolidine-1-sulfonamide
CID 175652197
4-(methylaminomethyl)-1-pentylpiperidin-4-ol
CID 95441823
(4aS,8aR)-4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridine-2-sulfonamide
CID 124896412
N,N-dimethylthiomorpholine-4-sulfonamide
CID 59786661
4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol
CID 130490728
(3aS,6aS)-1'-(dimethylsulfamoyl)-N,2-dimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
CID 155878000
N,N-dimethyl-2,6-diazaspiro[3.4]octane-6-sulfonamide
CID 137433121

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide (CID 39354945) is 4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1(O)CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is SRYWPRYKGBNBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-10-8-9(13)4-6-12(7-5-9)16(14,15)11(2)3/h10,13H,4-8H2,1-3H3.
What are the key properties of 4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide?
4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 251.35 g/mol, XLogP of -1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 39354945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).