N-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide

C8H16N2O3S — CID 174528757

IUPACN-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide
SMILESCS(=O)(=O)N1CCC(CNC=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-14(12,13)10-4-2-8(3-5-10)6-9-7-11/h7-8H,2-6H2,1H3,(H,9,11)
InChIKeyMTUMXZQLBRALET-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.60
Rot. Bonds4

About N-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide

N-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide (PubChem CID 174528757) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is N-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide
PubChem CID174528757
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC NameN-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide
SMILESCS(=O)(=O)N1CCC(CNC=O)CC1
InChIInChI=1S/C8H16N2O3S/c1-14(12,13)10-4-2-8(3-5-10)6-9-7-11/h7-8H,2-6H2,1H3,(H,9,11)
InChIKeyMTUMXZQLBRALET-UHFFFAOYSA-N
XLogP-0.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
1-(cyclobutylmethyl)-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 119151315
ethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide
CID 145231026
N-[(4-ethylcyclohexyl)methyl]formamide
CID 64992922
N-(cyclopropylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 63002779
2-(1-methylsulfonylpiperidin-4-yl)ethylhydrazine
CID 84687127
N-methyl-2-(1-methylsulfonylpiperidin-4-yl)ethanamine;hydrochloride
CID 17221589
2-(cyclobutylmethyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 111090199
1-[(1R,2R)-2-methylcyclopentyl]-3-[(1-methylsulfonylpiperidin-4-yl)methyl]urea
CID 95312621
cis-(1R,2S)-2,4,4-trimethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]cyclopentan-1-amine
CID 99838080
N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 63003319
N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(1-methylsulfonylpiperidin-4-yl)methanamine
CID 86799408

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide?
The IUPAC name of N-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide (CID 174528757) is N-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide.
What is the SMILES notation for N-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide?
The canonical SMILES for N-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide is CS(=O)(=O)N1CCC(CNC=O)CC1.
What is the InChIKey of N-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide?
The InChIKey is MTUMXZQLBRALET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-14(12,13)10-4-2-8(3-5-10)6-9-7-11/h7-8H,2-6H2,1H3,(H,9,11).
What are the key properties of N-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide?
N-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide has a molecular weight of 220.29 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfonylpiperidin-4-yl)methyl]formamide is sourced from PubChem (CID 174528757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).