N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine

C13H26N2O2S — CID 62568807

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H26N2O2S/c1-12(11-14-13-5-3-2-4-6-13)15-7-9-18(16,17)10-8-15/h12-14H,2-11H2,1H3
InChIKeyUMKHCILRNDCCOC-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.03
Rot. Bonds4

About N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine (PubChem CID 62568807) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine
PubChem CID62568807
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H26N2O2S/c1-12(11-14-13-5-3-2-4-6-13)15-7-9-18(16,17)10-8-15/h12-14H,2-11H2,1H3
InChIKeyUMKHCILRNDCCOC-UHFFFAOYSA-N
XLogP1.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclopentanamine
CID 62568806
N-[2-(azocan-1-yl)propyl]cyclopentanamine
CID 62558696
N-[2-(4-methylpiperazin-1-yl)propyl]cyclohexanamine
CID 62557467
1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine
CID 63921831
N-[2-(4-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 62557293
N-(2-piperidin-1-ylpropyl)cyclopropanamine
CID 62424338
N-[2-(4-methylazepan-1-yl)propyl]cyclohexanamine
CID 63627376
N-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]cyclopentanamine
CID 114540357
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methylpropan-1-amine
CID 62433248
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propyl]cyclopentanamine
CID 63009402
N-[2-(4-cyclopropylpiperazin-1-yl)propyl]cyclopropanamine
CID 62411356
8-methyl-N-(2-piperidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 54899357

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine (CID 62568807) is N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine is CC(CNC1CCCCC1)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine?
The InChIKey is UMKHCILRNDCCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-12(11-14-13-5-3-2-4-6-13)15-7-9-18(16,17)10-8-15/h12-14H,2-11H2,1H3.
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine?
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine has a molecular weight of 274.43 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]cyclohexanamine is sourced from PubChem (CID 62568807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).