(sulfonylamino) N-methyl-N-(1-methylpiperidin-4-yl)carbamate

C8H15N3O4S — CID 174662175

IUPAC(sulfonylamino) N-methyl-N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(N(C)C(=O)ON=S(=O)=O)CC1
InChIInChI=1S/C8H15N3O4S/c1-10-5-3-7(4-6-10)11(2)8(12)15-9-16(13)14/h7H,3-6H2,1-2H3
InChIKeyRTSZONOSSPDJPA-UHFFFAOYSA-N
MW249.29 g/mol
LogP0.13
Rot. Bonds2

About (sulfonylamino) N-methyl-N-(1-methylpiperidin-4-yl)carbamate

(sulfonylamino) N-methyl-N-(1-methylpiperidin-4-yl)carbamate (PubChem CID 174662175) has the molecular formula C8H15N3O4S and a molecular weight of 249.29 g/mol. Its IUPAC name is (sulfonylamino) N-methyl-N-(1-methylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Name(sulfonylamino) N-methyl-N-(1-methylpiperidin-4-yl)carbamate
PubChem CID174662175
Molecular FormulaC8H15N3O4S
Molecular Weight249.29 g/mol
Exact Mass249.08
IUPAC Name(sulfonylamino) N-methyl-N-(1-methylpiperidin-4-yl)carbamate
SMILESCN1CCC(N(C)C(=O)ON=S(=O)=O)CC1
InChIInChI=1S/C8H15N3O4S/c1-10-5-3-7(4-6-10)11(2)8(12)15-9-16(13)14/h7H,3-6H2,1-2H3
InChIKeyRTSZONOSSPDJPA-UHFFFAOYSA-N
XLogP0.13
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(sulfonylamino) N-cyclohexyl-N-methylcarbamate
CID 151465732
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 16789802
2-cyclopropyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 62360654
ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoate
CID 110465418
3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902528
6-[methyl-(1-methylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 16790610
N-(4-hydroxycyclohexyl)-N,1-dimethylpiperidine-4-carboxamide
CID 115277411
2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 103495844
2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 55063864
2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
CID 108507207
1,3-dimethyl-1-(1-methylpiperidin-4-yl)-3-propylurea
CID 143486621
1-methyl-4-[methyl(sulfinato)amino]piperidine
CID 67051302

Frequently Asked Questions

What is the IUPAC name of (sulfonylamino) N-methyl-N-(1-methylpiperidin-4-yl)carbamate?
The IUPAC name of (sulfonylamino) N-methyl-N-(1-methylpiperidin-4-yl)carbamate (CID 174662175) is (sulfonylamino) N-methyl-N-(1-methylpiperidin-4-yl)carbamate.
What is the SMILES notation for (sulfonylamino) N-methyl-N-(1-methylpiperidin-4-yl)carbamate?
The canonical SMILES for (sulfonylamino) N-methyl-N-(1-methylpiperidin-4-yl)carbamate is CN1CCC(N(C)C(=O)ON=S(=O)=O)CC1.
What is the InChIKey of (sulfonylamino) N-methyl-N-(1-methylpiperidin-4-yl)carbamate?
The InChIKey is RTSZONOSSPDJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4S/c1-10-5-3-7(4-6-10)11(2)8(12)15-9-16(13)14/h7H,3-6H2,1-2H3.
What are the key properties of (sulfonylamino) N-methyl-N-(1-methylpiperidin-4-yl)carbamate?
(sulfonylamino) N-methyl-N-(1-methylpiperidin-4-yl)carbamate has a molecular weight of 249.29 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfonylamino) N-methyl-N-(1-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 174662175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).