N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine

C9H18N2O2S — CID 80522010

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine
SMILESO=S1(=O)CCNC(CCNC2CC2)C1
InChIInChI=1S/C9H18N2O2S/c12-14(13)6-5-11-9(7-14)3-4-10-8-1-2-8/h8-11H,1-7H2
InChIKeyFZBSHGLCHNCSOT-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.48
Rot. Bonds4

About N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine

N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine (PubChem CID 80522010) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine
PubChem CID80522010
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine
SMILESO=S1(=O)CCNC(CCNC2CC2)C1
InChIInChI=1S/C9H18N2O2S/c12-14(13)6-5-11-9(7-14)3-4-10-8-1-2-8/h8-11H,1-7H2
InChIKeyFZBSHGLCHNCSOT-UHFFFAOYSA-N
XLogP-0.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]methanol
CID 91666874
N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]-N-ethylcyclopropanamine
CID 80521755
3-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 80522145
2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 95970256
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 80522147
3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 80521983
N-(2-cyclopentyloxyethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520771
N-(2-piperidin-4-ylethyl)cyclopropanamine
CID 16640897
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanamine
CID 80521073
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 80522146
N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520375
N-(cyclobutylmethyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80519987

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine (CID 80522010) is N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine is O=S1(=O)CCNC(CCNC2CC2)C1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine?
The InChIKey is FZBSHGLCHNCSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c12-14(13)6-5-11-9(7-14)3-4-10-8-1-2-8/h8-11H,1-7H2.
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine?
N-[2-(1,1-dioxo-1,4-thiazinan-3-yl)ethyl]cyclopropanamine has a molecular weight of 218.32 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 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-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 80522010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).