3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine

C11H22N2O3S — CID 65377567

IUPAC3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine
SMILESNCC1(NCC2CCCO2)CCCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c12-8-11(4-2-6-17(14,15)9-11)13-7-10-3-1-5-16-10/h10,13H,1-9,12H2
InChIKeyYQDHWKACRNEJKO-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.34
Rot. Bonds4

About 3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine

3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine (PubChem CID 65377567) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine
PubChem CID65377567
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine
SMILESNCC1(NCC2CCCO2)CCCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c12-8-11(4-2-6-17(14,15)9-11)13-7-10-3-1-5-16-10/h10,13H,1-9,12H2
InChIKeyYQDHWKACRNEJKO-UHFFFAOYSA-N
XLogP-0.34
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 65376736
1-(aminomethyl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65377148
1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 107429090
3-(aminomethyl)-1,1-dioxo-N-prop-2-enylthian-3-amine
CID 65382823
4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 65378603
4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propylazepan-4-amine
CID 65378386
1-amino-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60867408
4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine
CID 54983122
1-(chloromethyl)-3-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65030300
1-(aminomethyl)-2-methylsulfonyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 65377356
3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine
CID 105473183
1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide
CID 97222999

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine?
The IUPAC name of 3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine (CID 65377567) is 3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine?
The canonical SMILES for 3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine is NCC1(NCC2CCCO2)CCCS(=O)(=O)C1.
What is the InChIKey of 3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine?
The InChIKey is YQDHWKACRNEJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c12-8-11(4-2-6-17(14,15)9-11)13-7-10-3-1-5-16-10/h10,13H,1-9,12H2.
What are the key properties of 3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine?
3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine has a molecular weight of 262.37 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine is sourced from PubChem (CID 65377567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).