4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1,1-dioxothian-4-amine

C11H24N2O3S — CID 54983347

IUPAC4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1,1-dioxothian-4-amine
SMILESCCN(CCOC)C1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O3S/c1-3-13(6-7-16-2)11(10-12)4-8-17(14,15)9-5-11/h3-10,12H2,1-2H3
InChIKeyFVPWKSDWOIIFII-UHFFFAOYSA-N
MW264.39 g/mol
LogP-0.14
Rot. Bonds6

About 4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1,1-dioxothian-4-amine

4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1,1-dioxothian-4-amine (PubChem CID 54983347) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1,1-dioxothian-4-amine
PubChem CID54983347
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1,1-dioxothian-4-amine
SMILESCCN(CCOC)C1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O3S/c1-3-13(6-7-16-2)11(10-12)4-8-17(14,15)9-5-11/h3-10,12H2,1-2H3
InChIKeyFVPWKSDWOIIFII-UHFFFAOYSA-N
XLogP-0.14
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1-methylpiperidin-4-amine
CID 61448644
4-(aminomethyl)-1,1-dioxo-N,N-dipropylthian-4-amine
CID 54983034
1-(aminomethyl)-N-ethyl-N-(3-methoxypropyl)cycloheptan-1-amine
CID 62007736
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
CID 65088073
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclopropan-1-amine
CID 106661140
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4-phenylcyclohexan-1-amine
CID 61448495
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine
CID 79520557
4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine
CID 54985469
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80698631
3-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,1-dioxothian-3-amine
CID 63922458
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 61448592
3-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-1,1-dioxothiolan-3-amine
CID 63956770

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1,1-dioxothian-4-amine?
The IUPAC name of 4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1,1-dioxothian-4-amine (CID 54983347) is 4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1,1-dioxothian-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1,1-dioxothian-4-amine is CCN(CCOC)C1(CN)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1,1-dioxothian-4-amine?
The InChIKey is FVPWKSDWOIIFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-3-13(6-7-16-2)11(10-12)4-8-17(14,15)9-5-11/h3-10,12H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1,1-dioxothian-4-amine?
4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1,1-dioxothian-4-amine has a molecular weight of 264.39 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 54983347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).