N'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine

C11H25N3S — CID 63693232

IUPACN'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1(CN)CCSCC1
InChIInChI=1S/C11H25N3S/c1-13(2)6-7-14(3)11(10-12)4-8-15-9-5-11/h4-10,12H2,1-3H3
InChIKeyYNGQGJQOMVHFGM-UHFFFAOYSA-N
MW231.41 g/mol
LogP0.70
Rot. Bonds5

About N'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 63693232) has the molecular formula C11H25N3S and a molecular weight of 231.41 g/mol. Its IUPAC name is N'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID63693232
Molecular FormulaC11H25N3S
Molecular Weight231.41 g/mol
Exact Mass231.18
IUPAC NameN'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1(CN)CCSCC1
InChIInChI=1S/C11H25N3S/c1-13(2)6-7-14(3)11(10-12)4-8-15-9-5-11/h4-10,12H2,1-3H3
InChIKeyYNGQGJQOMVHFGM-UHFFFAOYSA-N
XLogP0.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.41
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine
CID 81059213
N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
CID 80705611
N'-[1-(aminomethyl)-4-ethylcyclohexyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694995
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine
CID 54984936
1-(aminomethyl)-N-butyl-N-methylcyclopropan-1-amine
CID 106661013
4-[2-(dimethylamino)ethyl]thian-4-ol
CID 84732964
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine
CID 54981505
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thian-4-amine
CID 79303837
N'-[4-(aminomethyl)-1,1-dioxothian-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694302
N'-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,N,N'-trimethylethane-1,2-diamine
CID 107449117
1-(aminomethyl)-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine
CID 61427409
1-(aminomethyl)-N-(3-fluoropropyl)-N-methylcyclopentan-1-amine
CID 81106189

Frequently Asked Questions

What is the IUPAC name of N'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 63693232) is N'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)C1(CN)CCSCC1.
What is the InChIKey of N'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is YNGQGJQOMVHFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3S/c1-13(2)6-7-14(3)11(10-12)4-8-15-9-5-11/h4-10,12H2,1-3H3.
What are the key properties of N'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 231.41 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 63693232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).