4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine

C12H24N2O3S — CID 54983122

IUPAC4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine
SMILESCN(CC1CCCO1)C1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O3S/c1-14(9-11-3-2-6-17-11)12(10-13)4-7-18(15,16)8-5-12/h11H,2-10,13H2,1H3
InChIKeyZUKFZDAINGMLNT-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.00
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine

4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine (PubChem CID 54983122) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine
PubChem CID54983122
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine
SMILESCN(CC1CCCO1)C1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O3S/c1-14(9-11-3-2-6-17-11)12(10-13)4-7-18(15,16)8-5-12/h11H,2-10,13H2,1H3
InChIKeyZUKFZDAINGMLNT-UHFFFAOYSA-N
XLogP0.00
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(aminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)spiro[4.5]decan-8-amine
CID 114818074
1-(aminomethyl)-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 65158615
1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 61431336
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433810
3-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 63162457
[1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine
CID 165475538
1-(aminomethyl)-3-ethoxy-N-methyl-N-(oxan-2-ylmethyl)cyclobutan-1-amine
CID 106821874
4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine
CID 54982945
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 62703920
1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 61435770
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine
CID 63726971
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62257278

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine (CID 54983122) is 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine is CN(CC1CCCO1)C1(CN)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine?
The InChIKey is ZUKFZDAINGMLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-14(9-11-3-2-6-17-11)12(10-13)4-7-18(15,16)8-5-12/h11H,2-10,13H2,1H3.
What are the key properties of 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine?
4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine has a molecular weight of 276.40 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-4-amine is sourced from PubChem (CID 54983122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).