N-tert-butyl-4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-amine

C14H28N2O2S — CID 172535946

IUPACN-tert-butyl-4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-amine
SMILESCC(C)(C)NC1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-14(2,3)15-12-4-6-13(7-5-12)16-8-10-19(17,18)11-9-16/h12-13,15H,4-11H2,1-3H3
InChIKeyMEGUHHIWVVWAKF-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.42
Rot. Bonds2

About N-tert-butyl-4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-amine

N-tert-butyl-4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-amine (PubChem CID 172535946) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-tert-butyl-4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-amine
PubChem CID172535946
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-tert-butyl-4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-amine
SMILESCC(C)(C)NC1CCC(N2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-14(2,3)15-12-4-6-13(7-5-12)16-8-10-19(17,18)11-9-16/h12-13,15H,4-11H2,1-3H3
InChIKeyMEGUHHIWVVWAKF-UHFFFAOYSA-N
XLogP1.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-amine?
The IUPAC name of N-tert-butyl-4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-amine (CID 172535946) is N-tert-butyl-4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-amine?
The canonical SMILES for N-tert-butyl-4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-amine is CC(C)(C)NC1CCC(N2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of N-tert-butyl-4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-amine?
The InChIKey is MEGUHHIWVVWAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-14(2,3)15-12-4-6-13(7-5-12)16-8-10-19(17,18)11-9-16/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N-tert-butyl-4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-amine?
N-tert-butyl-4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 172535946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).