2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine

C9H20N2S — CID 83817830

IUPAC2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine
SMILESCC(CN)N(C)C1CCSCC1
InChIInChI=1S/C9H20N2S/c1-8(7-10)11(2)9-3-5-12-6-4-9/h8-9H,3-7,10H2,1-2H3
InChIKeyDHYXSWXSJQMDOC-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.16
Rot. Bonds3

About 2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine

2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine (PubChem CID 83817830) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine
PubChem CID83817830
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine
SMILESCC(CN)N(C)C1CCSCC1
InChIInChI=1S/C9H20N2S/c1-8(7-10)11(2)9-3-5-12-6-4-9/h8-9H,3-7,10H2,1-2H3
InChIKeyDHYXSWXSJQMDOC-UHFFFAOYSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(3-methylbutan-2-yl)thian-4-amine
CID 131067370
2-N-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 130993951
2-N-methyl-1-N-(3-methylbutyl)-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 62568613
2-N-methyl-1-N-propan-2-yl-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 62422594
2-N-methyl-1-N-pentan-3-yl-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 62568442
2-amino-N-methyl-N-(thian-4-yl)acetamide
CID 121203600
2-N-cyclopentyl-2-N,3-dimethylpentane-1,2-diamine
CID 43312482
4-[methyl(thiolan-3-yl)amino]pentanoic acid
CID 62215066
N-cyclopropyl-N-propan-2-ylthian-4-amine
CID 127012112
2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
CID 104556896
4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 81070662
N-methyl-N-(2-methylbutan-2-yl)thian-4-amine
CID 130927384

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine (CID 83817830) is 2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine is CC(CN)N(C)C1CCSCC1.
What is the InChIKey of 2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine?
The InChIKey is DHYXSWXSJQMDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-8(7-10)11(2)9-3-5-12-6-4-9/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine?
2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine has a molecular weight of 188.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(thian-4-yl)propane-1,2-diamine is sourced from PubChem (CID 83817830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).