N'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine

C12H24N2S — CID 79956873

IUPACN'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine
SMILESCC1SCCCC1NCCN(C)C1CC1
InChIInChI=1S/C12H24N2S/c1-10-12(4-3-9-15-10)13-7-8-14(2)11-5-6-11/h10-13H,3-9H2,1-2H3
InChIKeyXYVIKIAUGRWONM-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.95
Rot. Bonds5

About N'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine (PubChem CID 79956873) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine
PubChem CID79956873
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine
SMILESCC1SCCCC1NCCN(C)C1CC1
InChIInChI=1S/C12H24N2S/c1-10-12(4-3-9-15-10)13-7-8-14(2)11-5-6-11/h10-13H,3-9H2,1-2H3
InChIKeyXYVIKIAUGRWONM-UHFFFAOYSA-N
XLogP1.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine
CID 102671776
2-methyl-N-[2-(2-methylphenyl)ethyl]thian-3-amine
CID 79956706
2-methyl-N-(2-prop-2-ynylsulfanylethyl)thian-3-amine
CID 106426333
2-[(2-methylthian-3-yl)amino]ethanesulfonamide
CID 79957817
N'-cyclopropyl-N'-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 62975333
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
2-methyl-N-[2-(oxolan-2-yl)ethyl]thian-3-amine
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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine (CID 79956873) is N'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine is CC1SCCCC1NCCN(C)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine?
The InChIKey is XYVIKIAUGRWONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-10-12(4-3-9-15-10)13-7-8-14(2)11-5-6-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine has a molecular weight of 228.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 79956873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).