[1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid

C8H17N3O4S — CID 130277576

IUPAC[1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid
SMILESCNS(=O)(=O)N1CCC(CNC(=O)O)CC1
InChIInChI=1S/C8H17N3O4S/c1-9-16(14,15)11-4-2-7(3-5-11)6-10-8(12)13/h7,9-10H,2-6H2,1H3,(H,12,13)
InChIKeyCYHVXLITDBFEDB-UHFFFAOYSA-N
MW251.31 g/mol
LogP-0.57
Rot. Bonds4

About [1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid

[1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid (PubChem CID 130277576) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is [1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid
PubChem CID130277576
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC Name[1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid
SMILESCNS(=O)(=O)N1CCC(CNC(=O)O)CC1
InChIInChI=1S/C8H17N3O4S/c1-9-16(14,15)11-4-2-7(3-5-11)6-10-8(12)13/h7,9-10H,2-6H2,1H3,(H,12,13)
InChIKeyCYHVXLITDBFEDB-UHFFFAOYSA-N
XLogP-0.57
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1-formylpiperidin-4-yl)methylcarbamic acid
CID 156534111
N-[[1-(cyanomethylsulfonyl)piperidin-4-yl]methyl]acetamide
CID 103850354
[1-(3,3-dimethyl-2-oxobutyl)piperidin-4-yl]methylcarbamic acid
CID 22313268
[1-[2-(4-fluorophenyl)ethylsulfonyl]piperidin-4-yl]methylcarbamic acid
CID 141057193
N-[[1-(2-aminoethylsulfonyl)piperidin-4-yl]methyl]acetamide
CID 102736166
tert-butyl N-[(1-ethylsulfonylpiperidin-4-yl)methyl]carbamate
CID 53256443
(4-methoxycyclohexyl)methylcarbamic acid
CID 23147931
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
[[1-(methylsulfamoyl)piperidin-4-yl]-phenylmethyl] carbamate
CID 175222339
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
(4-cyanocyclohexyl)methylcarbamic acid
CID 67500694
cis-(1R,3S)-2,2-dimethyl-3-[(1-methylsulfonylpyrrolidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122066651

Frequently Asked Questions

What is the IUPAC name of [1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid?
The IUPAC name of [1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid (CID 130277576) is [1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid.
What is the SMILES notation for [1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid?
The canonical SMILES for [1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid is CNS(=O)(=O)N1CCC(CNC(=O)O)CC1.
What is the InChIKey of [1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid?
The InChIKey is CYHVXLITDBFEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S/c1-9-16(14,15)11-4-2-7(3-5-11)6-10-8(12)13/h7,9-10H,2-6H2,1H3,(H,12,13).
What are the key properties of [1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid?
[1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid has a molecular weight of 251.31 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylsulfamoyl)piperidin-4-yl]methylcarbamic acid is sourced from PubChem (CID 130277576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).