N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C18H28N2O4S — CID 125447015

IUPACN-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC[C@](C)(CCNC(=O)N1CCS(=O)(=O)CC1)c1ccccc1OC
InChIInChI=1S/C18H28N2O4S/c1-4-18(2,15-7-5-6-8-16(15)24-3)9-10-19-17(21)20-11-13-25(22,23)14-12-20/h5-8H,4,9-14H2,1-3H3,(H,19,21)/t18-/m1/s1
InChIKeyRPBSPXGMEZPISH-GOSISDBHSA-N
MW368.50 g/mol
LogP2.19
Rot. Bonds6

About N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 125447015) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID125447015
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCC[C@](C)(CCNC(=O)N1CCS(=O)(=O)CC1)c1ccccc1OC
InChIInChI=1S/C18H28N2O4S/c1-4-18(2,15-7-5-6-8-16(15)24-3)9-10-19-17(21)20-11-13-25(22,23)14-12-20/h5-8H,4,9-14H2,1-3H3,(H,19,21)/t18-/m1/s1
InChIKeyRPBSPXGMEZPISH-GOSISDBHSA-N
XLogP2.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methoxyphenyl)-3-methylpentyl]piperazine-1-carboxamide
CID 131922320
4-acetamido-N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]piperidine-1-carboxamide
CID 125447036
N-[3-(2-methoxyphenyl)-3-methylpentyl]-1,5-dimethylpyrazole-3-carboxamide
CID 122559638
3-acetyl-N-[3-(2-methoxyphenyl)-3-methylpentyl]-1H-pyrazole-5-carboxamide
CID 74233002
N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 82091281
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-methoxyphenyl)methanone
CID 110721382
N-[3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine
CID 122560790
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine
CID 125438960
N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103333
N-(2-methoxyethyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 110616485

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 125447015) is N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is CC[C@](C)(CCNC(=O)N1CCS(=O)(=O)CC1)c1ccccc1OC.
What is the InChIKey of N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is RPBSPXGMEZPISH-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-4-18(2,15-7-5-6-8-16(15)24-3)9-10-19-17(21)20-11-13-25(22,23)14-12-20/h5-8H,4,9-14H2,1-3H3,(H,19,21)/t18-/m1/s1.
What are the key properties of N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 125447015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).