4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine

C9H20N2O2S — CID 60840838

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine
SMILESCNCCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-10-4-2-3-5-11-6-8-14(12,13)9-7-11/h10H,2-9H2,1H3
InChIKeyGHPUOHCYGGJJHH-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.28
Rot. Bonds5

About 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine

4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine (PubChem CID 60840838) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine
PubChem CID60840838
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine
SMILESCNCCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H20N2O2S/c1-10-4-2-3-5-11-6-8-14(12,13)9-7-11/h10H,2-9H2,1H3
InChIKeyGHPUOHCYGGJJHH-UHFFFAOYSA-N
XLogP-0.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575
4-(azocan-1-yl)-N-methylbutan-1-amine
CID 60841178
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]hydrazine
CID 22326506
4-butyl-1,4-thiazinane 1,1-dioxide;ethane
CID 143865715
N-methyl-5-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 62418821
ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 143417391
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine
CID 55157288
11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid
CID 12524103
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propanamide
CID 90276982
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805845
N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497352

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine (CID 60840838) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine is CNCCCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine?
The InChIKey is GHPUOHCYGGJJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-10-4-2-3-5-11-6-8-14(12,13)9-7-11/h10H,2-9H2,1H3.
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine?
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine has a molecular weight of 220.34 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 60840838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).