N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine

C11H23N3O2S — CID 83011946

IUPACN-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine
SMILESNCC1(NN2CCCCC2)CCCS(=O)(=O)C1
InChIInChI=1S/C11H23N3O2S/c12-9-11(5-4-8-17(15,16)10-11)13-14-6-2-1-3-7-14/h13H,1-10,12H2
InChIKeyCBDNCKXXWZEIBN-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.12
Rot. Bonds3

About N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine

N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine (PubChem CID 83011946) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine
PubChem CID83011946
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC NameN-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine
SMILESNCC1(NN2CCCCC2)CCCS(=O)(=O)C1
InChIInChI=1S/C11H23N3O2S/c12-9-11(5-4-8-17(15,16)10-11)13-14-6-2-1-3-7-14/h13H,1-10,12H2
InChIKeyCBDNCKXXWZEIBN-UHFFFAOYSA-N
XLogP-0.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine
CID 83010725
3-(aminomethyl)-1,1-dioxo-N-prop-2-enylthian-3-amine
CID 65382823
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]piperidin-1-amine
CID 83011314
N-[1-(aminomethyl)-4-propan-2-ylcycloheptyl]piperidin-1-amine
CID 83011025
3-(aminomethyl)-N-(2-methylphenyl)-1,1-dioxothian-3-amine
CID 65376337
3-(aminomethyl)-1,1-dioxo-N-(oxolan-2-ylmethyl)thian-3-amine
CID 65377567
4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine
CID 83011046
3-(aminomethyl)-N-cyclobutyl-1,1-dioxothiolan-3-amine
CID 105473183
N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide
CID 79151741
N-[1-(aminomethyl)-2-methylcyclohexyl]piperidin-1-amine
CID 83011943
[3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine
CID 63923648
N-[3-(aminomethyl)-5-methylthiolan-3-yl]piperidin-1-amine
CID 83010917

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine?
The IUPAC name of N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine (CID 83011946) is N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine.
What is the SMILES notation for N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine?
The canonical SMILES for N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine is NCC1(NN2CCCCC2)CCCS(=O)(=O)C1.
What is the InChIKey of N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine?
The InChIKey is CBDNCKXXWZEIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c12-9-11(5-4-8-17(15,16)10-11)13-14-6-2-1-3-7-14/h13H,1-10,12H2.
What are the key properties of N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine?
N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine has a molecular weight of 261.39 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-1,1-dioxothian-3-yl]piperidin-1-amine is sourced from PubChem (CID 83011946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).