1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine

C10H22N2S — CID 82945113

IUPAC1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine
SMILESCC(CN(C)C)NC1CCCSC1
InChIInChI=1S/C10H22N2S/c1-9(7-12(2)3)11-10-5-4-6-13-8-10/h9-11H,4-8H2,1-3H3
InChIKeyZUKKKJJWRRCTHU-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.42
Rot. Bonds4

About 1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine

1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine (PubChem CID 82945113) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine
PubChem CID82945113
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine
SMILESCC(CN(C)C)NC1CCCSC1
InChIInChI=1S/C10H22N2S/c1-9(7-12(2)3)11-10-5-4-6-13-8-10/h9-11H,4-8H2,1-3H3
InChIKeyZUKKKJJWRRCTHU-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine (CID 82945113) is 1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine is CC(CN(C)C)NC1CCCSC1.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine?
The InChIKey is ZUKKKJJWRRCTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-9(7-12(2)3)11-10-5-4-6-13-8-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine has a molecular weight of 202.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine is sourced from PubChem (CID 82945113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).