1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine

C10H22N2S — CID 62422780

IUPAC1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine
SMILESCCC(CNC)N(C)C1CCSC1
InChIInChI=1S/C10H22N2S/c1-4-9(7-11-2)12(3)10-5-6-13-8-10/h9-11H,4-8H2,1-3H3
InChIKeyAWQHTAHIIFPDFB-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.42
Rot. Bonds5

About 1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine

1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine (PubChem CID 62422780) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine
PubChem CID62422780
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine
SMILESCCC(CNC)N(C)C1CCSC1
InChIInChI=1S/C10H22N2S/c1-4-9(7-11-2)12(3)10-5-6-13-8-10/h9-11H,4-8H2,1-3H3
InChIKeyAWQHTAHIIFPDFB-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N-dimethyl-2-N-(thiolan-3-yl)pentane-1,2-diamine
CID 83055086
3-[methyl(thiolan-3-yl)amino]pentanethioamide
CID 43296654
2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 62568442
2-N-(1-ethylpiperidin-4-yl)-1-N,2-N-dimethylbutane-1,2-diamine
CID 62436874
2-N-methyl-1-N-propan-2-yl-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 62422594
ethyl 2-[methyl(thiolan-3-yl)amino]butanoate
CID 64660445
2-N-methyl-1-N-(3-methylbutyl)-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 62568613
4-N-methyl-1-N-(2-methylpropyl)-4-N-(thiolan-3-yl)pentane-1,4-diamine
CID 62422983
1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine
CID 62422981
4-[methyl(thiolan-3-yl)amino]pentanoic acid
CID 62215066
2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
CID 62422296
N'-hydroxy-2-[methyl(thiolan-3-yl)amino]propanimidamide
CID 76915090

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine (CID 62422780) is 1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine is CCC(CNC)N(C)C1CCSC1.
What is the InChIKey of 1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine?
The InChIKey is AWQHTAHIIFPDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-4-9(7-11-2)12(3)10-5-6-13-8-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine?
1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine has a molecular weight of 202.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-2-N-(thiolan-3-yl)butane-1,2-diamine is sourced from PubChem (CID 62422780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).