(1-methylsulfonylpiperidin-4-yl)carbamic acid

C7H14N2O4S — CID 21070506

IUPAC(1-methylsulfonylpiperidin-4-yl)carbamic acid
SMILESCS(=O)(=O)N1CCC(NC(=O)O)CC1
InChIInChI=1S/C7H14N2O4S/c1-14(12,13)9-4-2-6(3-5-9)8-7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyXXKZKDZSRKLWTP-UHFFFAOYSA-N
MW222.27 g/mol
LogP-0.32
Rot. Bonds2

About (1-methylsulfonylpiperidin-4-yl)carbamic acid

(1-methylsulfonylpiperidin-4-yl)carbamic acid (PubChem CID 21070506) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)carbamic acid
PubChem CID21070506
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Name(1-methylsulfonylpiperidin-4-yl)carbamic acid
SMILESCS(=O)(=O)N1CCC(NC(=O)O)CC1
InChIInChI=1S/C7H14N2O4S/c1-14(12,13)9-4-2-6(3-5-9)8-7(10)11/h6,8H,2-5H2,1H3,(H,10,11)
InChIKeyXXKZKDZSRKLWTP-UHFFFAOYSA-N
XLogP-0.32
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(Trifluoromethylsulfonyl)piperidin-4-yl]carbamic acid
CID 66770383
[1-(2,2,2-Trifluoroethylsulfonyl)piperidin-4-yl]carbamic acid
CID 134247632
(3-Fluoro-1-methylsulfonylpiperidin-4-yl)carbamic acid
CID 174234337
N-(1-methylsulfonylpiperidin-4-yl)formamide
CID 64992329
[1-(Dimethylsulfamoyl)piperidin-4-yl]carbamic acid
CID 66819444
4-Amino-3-(methanesulfonamido)piperidine-1-carboxylic acid
CID 66952819
(1-Methylsulfonylpiperidin-3-yl)methylcarbamic acid
CID 67501269
4-(Tert-butylsulfonylamino)piperidine-1-carboxylic acid
CID 68465056
[(4S)-4-amino-5-(methanesulfonamido)pentyl]carbamic acid
CID 87399679
5-(Methanesulfonamido)pentylcarbamic acid
CID 87726231
4-Azido-3-(methanesulfonamido)piperidine-1-carboxylic acid
CID 90894815
4-(Methanesulfonamido)piperidine-1-carboxylic acid
CID 90906463

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)carbamic acid?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)carbamic acid (CID 21070506) is (1-methylsulfonylpiperidin-4-yl)carbamic acid.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)carbamic acid?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)carbamic acid is CS(=O)(=O)N1CCC(NC(=O)O)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)carbamic acid?
The InChIKey is XXKZKDZSRKLWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-14(12,13)9-4-2-6(3-5-9)8-7(10)11/h6,8H,2-5H2,1H3,(H,10,11).
What are the key properties of (1-methylsulfonylpiperidin-4-yl)carbamic acid?
(1-methylsulfonylpiperidin-4-yl)carbamic acid has a molecular weight of 222.27 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)carbamic acid is sourced from PubChem (CID 21070506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).