N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine

C12H24N2O2S — CID 107172212

IUPACN-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine
SMILESCN(C1CCCNCC1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-14(11-3-2-7-13-8-4-11)12-5-9-17(15,16)10-6-12/h11-13H,2-10H2,1H3
InChIKeyLEZZBFZAKCJXNU-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.64
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine

N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine (PubChem CID 107172212) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine
PubChem CID107172212
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine
SMILESCN(C1CCCNCC1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O2S/c1-14(11-3-2-7-13-8-4-11)12-5-9-17(15,16)10-6-12/h11-13H,2-10H2,1H3
InChIKeyLEZZBFZAKCJXNU-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothian-4-yl)-N-methylazetidin-3-amine
CID 66187291
4-[azepan-4-yl(methyl)amino]-1,1-dioxothiolan-3-ol
CID 107173469
N-methyl-N-(3-methylcyclobutyl)azepan-4-amine
CID 107172184
N-cyclopropyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53408558
N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine
CID 107172008
N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine
CID 79707253
4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine
CID 79121119
N-(3-ethylcyclohexyl)-N-methylazepan-4-amine
CID 107172001
N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine
CID 107171989
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine
CID 107171962
N-cyclopropyl-N-methylpiperidin-3-amine;hydrochloride
CID 118797312
N-methoxy-N-methylazepan-4-amine
CID 84650806

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine (CID 107172212) is N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine is CN(C1CCCNCC1)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine?
The InChIKey is LEZZBFZAKCJXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-14(11-3-2-7-13-8-4-11)12-5-9-17(15,16)10-6-12/h11-13H,2-10H2,1H3.
What are the key properties of N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine?
N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine has a molecular weight of 260.40 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine is sourced from PubChem (CID 107172212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).