N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine

C11H22N2OS — CID 62430618

IUPACN-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)N1CCS(=O)CC1
InChIInChI=1S/C11H22N2OS/c1-2-11(9-12-10-3-4-10)13-5-7-15(14)8-6-13/h10-12H,2-9H2,1H3
InChIKeyWYIXIHPTMFUHJZ-UHFFFAOYSA-N
MW230.38 g/mol
LogP0.58
Rot. Bonds5

About N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine

N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine (PubChem CID 62430618) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine
PubChem CID62430618
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)N1CCS(=O)CC1
InChIInChI=1S/C11H22N2OS/c1-2-11(9-12-10-3-4-10)13-5-7-15(14)8-6-13/h10-12H,2-9H2,1H3
InChIKeyWYIXIHPTMFUHJZ-UHFFFAOYSA-N
XLogP0.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azocan-1-yl)butyl]cyclopropanamine
CID 62419227
N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine
CID 62778203
N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine
CID 65287005
N-[2-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethyl]cyclopropanamine
CID 62430463
N-[2-(2-ethylmorpholin-4-yl)butyl]cyclopropanamine
CID 62431717
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine
CID 62419457
N-[2-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine
CID 83043627
N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine
CID 113441989
N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine
CID 83054777
N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 83054279
N-[(4S)-2,4-dimethylhexyl]cyclopropanamine
CID 142895112
N-[2-(4-propan-2-ylpiperidin-1-yl)propyl]cyclopropanamine
CID 103503204

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine?
The IUPAC name of N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine (CID 62430618) is N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine is CCC(CNC1CC1)N1CCS(=O)CC1.
What is the InChIKey of N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine?
The InChIKey is WYIXIHPTMFUHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-2-11(9-12-10-3-4-10)13-5-7-15(14)8-6-13/h10-12H,2-9H2,1H3.
What are the key properties of N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine?
N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine has a molecular weight of 230.38 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine is sourced from PubChem (CID 62430618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).