(3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide

C19H28N2O4S — CID 95118604

About (3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide

(3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide (PubChem CID 95118604) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is (3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
• PubChem CID: 95118604
• Molecular Formula: C19H28N2O4S
• Molecular Weight: 380.51 g/mol
• Exact Mass: 380.18
• IUPAC Name: (3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
• SMILES: Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1
• InChI: InChI=1S/C19H28N2O4S/c1-13-7-8-15-16(11-19(2,3)25-17(15)10-13)20-18(22)14-6-5-9-21(12-14)26(4,23)24/h7-8,10,14,16H,5-6,9,11-12H2,1-4H3,(H,20,22)/t14-,16+/m1/s1
• InChIKey: BHWLUWMUOQKONM-ZBFHGGJFSA-N
• XLogP: 2.39
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.51
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide?

The IUPAC name of (3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide (CID 95118604) is (3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide is Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1.

What is the InChIKey of (3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide?

The InChIKey is BHWLUWMUOQKONM-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-13-7-8-15-16(11-19(2,3)25-17(15)10-13)20-18(22)14-6-5-9-21(12-14)26(4,23)24/h7-8,10,14,16H,5-6,9,11-12H2,1-4H3,(H,20,22)/t14-,16+/m1/s1.

What are the key properties of (3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide?

(3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-methylsulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95118604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).