N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide

C11H20N2O4S — CID 115764707

IUPACN-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2(CO)CC2)CC1
InChIInChI=1S/C11H20N2O4S/c1-18(16,17)13-6-2-9(3-7-13)10(15)12-11(8-14)4-5-11/h9,14H,2-8H2,1H3,(H,12,15)
InChIKeyJBFNIQKBQIDKKH-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.70
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 115764707) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID115764707
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NC2(CO)CC2)CC1
InChIInChI=1S/C11H20N2O4S/c1-18(16,17)13-6-2-9(3-7-13)10(15)12-11(8-14)4-5-11/h9,14H,2-8H2,1H3,(H,12,15)
InChIKeyJBFNIQKBQIDKKH-UHFFFAOYSA-N
XLogP-0.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110292609
1-acetyl-N-[1-(hydroxymethyl)cyclohexyl]piperidine-4-carboxamide
CID 62520575
N-[1-(aminomethyl)cyclopentyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119568326
N-[1-(hydroxymethyl)cyclobutyl]cyclopropanecarboxamide
CID 115878461
1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide
CID 104630361
1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 7255930
2,2-dimethyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 81367181
2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 106107966
N-[1-(hydroxymethyl)cyclobutyl]cycloheptanecarboxamide
CID 115878103
N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119642002
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47017929
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 115764707) is N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NC2(CO)CC2)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is JBFNIQKBQIDKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-18(16,17)13-6-2-9(3-7-13)10(15)12-11(8-14)4-5-11/h9,14H,2-8H2,1H3,(H,12,15).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 276.36 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 115764707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).