1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine

C9H18N2O2S — CID 102884145

IUPAC1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine
SMILESCC1CS(=O)(=O)CCN1CC1(N)CC1
InChIInChI=1S/C9H18N2O2S/c1-8-6-14(12,13)5-4-11(8)7-9(10)2-3-9/h8H,2-7,10H2,1H3
InChIKeyWUAXOBWGOLZDIX-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.40
Rot. Bonds2

About 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine

1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine (PubChem CID 102884145) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine
PubChem CID102884145
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine
SMILESCC1CS(=O)(=O)CCN1CC1(N)CC1
InChIInChI=1S/C9H18N2O2S/c1-8-6-14(12,13)5-4-11(8)7-9(10)2-3-9/h8H,2-7,10H2,1H3
InChIKeyWUAXOBWGOLZDIX-UHFFFAOYSA-N
XLogP-0.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 102884121
4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885914
[4-methyl-1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexyl]methanamine
CID 102884207
3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine
CID 102884252
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899
3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide
CID 103684411
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 103878593
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-amine
CID 102882862
7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
CID 102884168
1-[(2-methylpiperidin-1-yl)methyl]cyclopropan-1-amine
CID 65457487
1-[(2-methylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 60973694
3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine
CID 103366490

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine (CID 102884145) is 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine is CC1CS(=O)(=O)CCN1CC1(N)CC1.
What is the InChIKey of 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine?
The InChIKey is WUAXOBWGOLZDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-8-6-14(12,13)5-4-11(8)7-9(10)2-3-9/h8H,2-7,10H2,1H3.
What are the key properties of 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine?
1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine has a molecular weight of 218.32 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 102884145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).