tert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate

C15H24N2O4S2 — CID 71647043

IUPACtert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C15H24N2O4S2/c1-15(2,3)21-14(18)16(4)12-7-5-9-17(11-12)23(19,20)13-8-6-10-22-13/h6,8,10,12H,5,7,9,11H2,1-4H3
InChIKeyCFVFJURLCLPLEV-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.77
Rot. Bonds3

About tert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate

tert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate (PubChem CID 71647043) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate
PubChem CID71647043
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC Nametert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C15H24N2O4S2/c1-15(2,3)21-14(18)16(4)12-7-5-9-17(11-12)23(19,20)13-8-6-10-22-13/h6,8,10,12H,5,7,9,11H2,1-4H3
InChIKeyCFVFJURLCLPLEV-UHFFFAOYSA-N
XLogP2.77
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-3-yl]-N-methylcarbamate
CID 75419194
tert-butyl N-[(3R)-1-[(4-methoxyphenyl)methylsulfonyl]piperidin-3-yl]-N-methylcarbamate
CID 97168220
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
tert-butyl N-methyl-N-[(3S)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]piperidin-3-yl]carbamate
CID 97175579
tert-butyl N-[(3R)-1-[(4-cyanophenyl)methylsulfonyl]piperidin-3-yl]-N-methylcarbamate
CID 97166989
N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 134006152
tert-butyl N-[1-[[(3aR,4S,6aS)-2-thiophen-2-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-1-oxopentan-2-yl]-N-methylcarbamate
CID 66590746
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 51607049
N-[(4-ethoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 24502988

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate (CID 71647043) is tert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate is CN(C(=O)OC(C)(C)C)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of tert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate?
The InChIKey is CFVFJURLCLPLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-15(2,3)21-14(18)16(4)12-7-5-9-17(11-12)23(19,20)13-8-6-10-22-13/h6,8,10,12H,5,7,9,11H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate?
tert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate has a molecular weight of 360.50 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbamate is sourced from PubChem (CID 71647043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).