[1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid

C8H17N3O4S — CID 66819444

IUPAC[1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid
SMILESCN(C)S(=O)(=O)N1CCC(NC(=O)O)CC1
InChIInChI=1S/C8H17N3O4S/c1-10(2)16(14,15)11-5-3-7(4-6-11)9-8(12)13/h7,9H,3-6H2,1-2H3,(H,12,13)
InChIKeyQYFXCXJUBUSAKN-UHFFFAOYSA-N
MW251.31 g/mol
LogP-0.48
Rot. Bonds3

About [1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid

[1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid (PubChem CID 66819444) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is [1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid
PubChem CID66819444
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC Name[1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid
SMILESCN(C)S(=O)(=O)N1CCC(NC(=O)O)CC1
InChIInChI=1S/C8H17N3O4S/c1-10(2)16(14,15)11-5-3-7(4-6-11)9-8(12)13/h7,9H,3-6H2,1-2H3,(H,12,13)
InChIKeyQYFXCXJUBUSAKN-UHFFFAOYSA-N
XLogP-0.48
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-Fluorobutyl)piperidin-4-yl]carbamic acid
CID 68800969
(3-Fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid
CID 174234337
(1-Tert-butylpiperidin-4-yl)carbamic acid
CID 19787946
(1-Methylsulfonylpiperidin-4-yl)carbamic acid
CID 21070506
Ethyl(piperidin-4-yl)carbamic acid
CID 22121997
(1-Propan-2-ylpiperidin-4-yl)carbamic acid
CID 22394320
4-(Propan-2-ylamino)piperidine-1-carboxylic acid
CID 22394451
(1-Ethylpiperidin-4-yl)carbamic acid
CID 22394455
4-Piperidin-1-ylbutan-2-ylcarbamic acid
CID 22717121
4-(Ethylamino)piperidine-1-carboxylic acid
CID 23137099
tert-butyl N-[1-(dimethylsulfamoyl)piperidin-4-yl]carbamate
CID 47215822
Butyl(piperidin-4-yl)carbamic acid
CID 68800963

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid (CID 66819444) is [1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid is CN(C)S(=O)(=O)N1CCC(NC(=O)O)CC1.
What is the InChIKey of [1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid?
The InChIKey is QYFXCXJUBUSAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S/c1-10(2)16(14,15)11-5-3-7(4-6-11)9-8(12)13/h7,9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of [1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid?
[1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid has a molecular weight of 251.31 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 66819444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).