1-(1,2,5-dithiazepan-5-ylmethyl)-N-methylcyclobutan-1-amine

C10H20N2S2 — CID 131102035

IUPAC1-(1,2,5-dithiazepan-5-ylmethyl)-N-methylcyclobutan-1-amine
SMILESCNC1(CN2CCSSCC2)CCC1
InChIInChI=1S/C10H20N2S2/c1-11-10(3-2-4-10)9-12-5-7-13-14-8-6-12/h11H,2-9H2,1H3
InChIKeyBADSGJYMOPZCKT-UHFFFAOYSA-N
MW232.42 g/mol
LogP1.83
Rot. Bonds3

About 1-(1,2,5-dithiazepan-5-ylmethyl)-N-methylcyclobutan-1-amine

1-(1,2,5-dithiazepan-5-ylmethyl)-N-methylcyclobutan-1-amine (PubChem CID 131102035) has the molecular formula C10H20N2S2 and a molecular weight of 232.42 g/mol. Its IUPAC name is 1-(1,2,5-dithiazepan-5-ylmethyl)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(1,2,5-dithiazepan-5-ylmethyl)-N-methylcyclobutan-1-amine
PubChem CID131102035
Molecular FormulaC10H20N2S2
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC Name1-(1,2,5-dithiazepan-5-ylmethyl)-N-methylcyclobutan-1-amine
SMILESCNC1(CN2CCSSCC2)CCC1
InChIInChI=1S/C10H20N2S2/c1-11-10(3-2-4-10)9-12-5-7-13-14-8-6-12/h11H,2-9H2,1H3
InChIKeyBADSGJYMOPZCKT-UHFFFAOYSA-N
XLogP1.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(azetidin-1-ylmethyl)-N-methylcyclobutan-1-amine
CID 130591471
1-(1,2,5-dithiazepan-5-ylmethyl)cyclopentan-1-amine
CID 130684129
1-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-N-methylcyclopentan-1-amine
CID 130848515
ethane;1-ethyl-N-methylcyclobutan-1-amine
CID 171514918
ethane;1-(methoxymethyl)-N-methylcyclobutan-1-amine
CID 171819179
1-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-N-methylcyclohexan-1-amine
CID 65241886
1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexane-1-carbaldehyde
CID 107459312
[3-(methylamino)thian-3-yl]methanol
CID 62872215
1-(morpholin-4-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 146476199
N-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)cyclobutan-1-amine
CID 130769892
2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 62262879
N-[1-(piperazin-1-ylmethyl)cycloheptyl]formamide
CID 82511228

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,5-dithiazepan-5-ylmethyl)-N-methylcyclobutan-1-amine?
The IUPAC name of 1-(1,2,5-dithiazepan-5-ylmethyl)-N-methylcyclobutan-1-amine (CID 131102035) is 1-(1,2,5-dithiazepan-5-ylmethyl)-N-methylcyclobutan-1-amine.
What is the SMILES notation for 1-(1,2,5-dithiazepan-5-ylmethyl)-N-methylcyclobutan-1-amine?
The canonical SMILES for 1-(1,2,5-dithiazepan-5-ylmethyl)-N-methylcyclobutan-1-amine is CNC1(CN2CCSSCC2)CCC1.
What is the InChIKey of 1-(1,2,5-dithiazepan-5-ylmethyl)-N-methylcyclobutan-1-amine?
The InChIKey is BADSGJYMOPZCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S2/c1-11-10(3-2-4-10)9-12-5-7-13-14-8-6-12/h11H,2-9H2,1H3.
What are the key properties of 1-(1,2,5-dithiazepan-5-ylmethyl)-N-methylcyclobutan-1-amine?
1-(1,2,5-dithiazepan-5-ylmethyl)-N-methylcyclobutan-1-amine has a molecular weight of 232.42 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,5-dithiazepan-5-ylmethyl)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 131102035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).