N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide

C18H32N2O4S — CID 130227401

IUPACN-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCCC(C)(C)C(=O)N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C18H32N2O4S/c1-14(2)13-18(5-6-18)15(21)19-8-7-17(3,4)16(22)20-9-11-25(23,24)12-10-20/h14H,5-13H2,1-4H3,(H,19,21)
InChIKeyISCMTZWGLNLLDE-UHFFFAOYSA-N
MW372.53 g/mol
LogP1.60
Rot. Bonds7

About N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide

N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide (PubChem CID 130227401) has the molecular formula C18H32N2O4S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide
PubChem CID130227401
Molecular FormulaC18H32N2O4S
Molecular Weight372.53 g/mol
Exact Mass372.21
IUPAC NameN-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCCC(C)(C)C(=O)N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C18H32N2O4S/c1-14(2)13-18(5-6-18)15(21)19-8-7-17(3,4)16(22)20-9-11-25(23,24)12-10-20/h14H,5-13H2,1-4H3,(H,19,21)
InChIKeyISCMTZWGLNLLDE-UHFFFAOYSA-N
XLogP1.60
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide (CID 130227401) is N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide is CC(C)CC1(C(=O)NCCC(C)(C)C(=O)N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide?
The InChIKey is ISCMTZWGLNLLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4S/c1-14(2)13-18(5-6-18)15(21)19-8-7-17(3,4)16(22)20-9-11-25(23,24)12-10-20/h14H,5-13H2,1-4H3,(H,19,21).
What are the key properties of N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide?
N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide has a molecular weight of 372.53 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3,3-dimethyl-4-oxobutyl]-1-(2-methylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 130227401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).