1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea

C14H23N3O3S2 — CID 110823258

IUPAC1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea
SMILESCC(C)(C)NC(=O)NC1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H23N3O3S2/c1-14(2,3)16-13(18)15-11-6-8-17(9-7-11)22(19,20)12-5-4-10-21-12/h4-5,10-11H,6-9H2,1-3H3,(H2,15,16,18)
InChIKeyDNYIPJUIDDJRPO-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.00
Rot. Bonds3

About 1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea

1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea (PubChem CID 110823258) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea
PubChem CID110823258
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC Name1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea
SMILESCC(C)(C)NC(=O)NC1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H23N3O3S2/c1-14(2,3)16-13(18)15-11-6-8-17(9-7-11)22(19,20)12-5-4-10-21-12/h4-5,10-11H,6-9H2,1-3H3,(H2,15,16,18)
InChIKeyDNYIPJUIDDJRPO-UHFFFAOYSA-N
XLogP2.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 110823252
2-phenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108560111
2,2-diphenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108559458
1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide
CID 51188882
N-(tert-butylcarbamoyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655830
tert-butyl N-[3-oxo-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)amino]propyl]carbamate
CID 108558943
4-fluoro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 35400940
3-hydroxy-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108562969
2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108561586
1-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea
CID 71064561
2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 108560976

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea (CID 110823258) is 1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea is CC(C)(C)NC(=O)NC1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea?
The InChIKey is DNYIPJUIDDJRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-14(2,3)16-13(18)15-11-6-8-17(9-7-11)22(19,20)12-5-4-10-21-12/h4-5,10-11H,6-9H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea?
1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea has a molecular weight of 345.49 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 110823258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).