[4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol

C15H30N2OS — CID 105418776

IUPAC[4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol
SMILESCN(CC1(CS)CCOCC1)CC1(N(C)C)CCC1
InChIInChI=1S/C15H30N2OS/c1-16(2)15(5-4-6-15)12-17(3)11-14(13-19)7-9-18-10-8-14/h19H,4-13H2,1-3H3
InChIKeyKYYPGXGOWFESES-UHFFFAOYSA-N
MW286.49 g/mol
LogP2.13
Rot. Bonds6

About [4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol

[4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol (PubChem CID 105418776) has the molecular formula C15H30N2OS and a molecular weight of 286.49 g/mol. Its IUPAC name is [4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol.

Molecular Properties

Compound Name[4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol
PubChem CID105418776
Molecular FormulaC15H30N2OS
Molecular Weight286.49 g/mol
Exact Mass286.21
IUPAC Name[4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol
SMILESCN(CC1(CS)CCOCC1)CC1(N(C)C)CCC1
InChIInChI=1S/C15H30N2OS/c1-16(2)15(5-4-6-15)12-17(3)11-14(13-19)7-9-18-10-8-14/h19H,4-13H2,1-3H3
InChIKeyKYYPGXGOWFESES-UHFFFAOYSA-N
XLogP2.13
TPSA15.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol with MolForge

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Related Compounds

[4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanol
CID 105417449
1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416258
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxolane-3-carboxylic acid
CID 105417376
1-[[[1-(ethylaminomethyl)cyclopentyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105417297
4-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyloxepan-4-amine
CID 105414221
[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxan-4-yl]methanethiol
CID 112667555
N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 62862435
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]butane-1-thiol
CID 105418791
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol
CID 105418772
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N,N'-dimethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 105414310
4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol
CID 114953654
1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416269

Frequently Asked Questions

What is the IUPAC name of [4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol?
The IUPAC name of [4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol (CID 105418776) is [4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol.
What is the SMILES notation for [4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol?
The canonical SMILES for [4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol is CN(CC1(CS)CCOCC1)CC1(N(C)C)CCC1.
What is the InChIKey of [4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol?
The InChIKey is KYYPGXGOWFESES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-16(2)15(5-4-6-15)12-17(3)11-14(13-19)7-9-18-10-8-14/h19H,4-13H2,1-3H3.
What are the key properties of [4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol?
[4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol has a molecular weight of 286.49 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanethiol is sourced from PubChem (CID 105418776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).