N-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine

C10H20N2O2S — CID 105491866

IUPACN-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine
SMILESNC1CCC(CNC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H20N2O2S/c11-9-2-1-8(5-9)6-12-10-3-4-15(13,14)7-10/h8-10,12H,1-7,11H2
InChIKeyIGUKXYVTFVTBBP-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.11
Rot. Bonds3

About N-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine

N-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine (PubChem CID 105491866) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine
PubChem CID105491866
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine
SMILESNC1CCC(CNC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C10H20N2O2S/c11-9-2-1-8(5-9)6-12-10-3-4-15(13,14)7-10/h8-10,12H,1-7,11H2
InChIKeyIGUKXYVTFVTBBP-UHFFFAOYSA-N
XLogP-0.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
N-[(3-methylcyclopentyl)methyl]-1,1-dioxothian-3-amine
CID 107411501
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
N-[(1,1-dioxothiolan-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 81039030
N-[(4-methylcyclohexyl)methyl]-1,1-dioxothian-3-amine
CID 63923240
N-[(3-aminocyclopentyl)methyl]thian-4-amine
CID 105468128
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride
CID 146012772
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
1,1-dioxo-N-(thian-4-ylmethyl)thian-3-amine
CID 115901039
N-[(3-aminocyclopentyl)methyl]pyrrolidin-3-amine
CID 105440870
5-[[(1,1-dioxothiolan-3-yl)amino]methyl]pyrrolidin-2-one
CID 60727214
1,1-dioxo-N-(thian-2-ylmethyl)thiolan-3-amine
CID 80599834

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine (CID 105491866) is N-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine is NC1CCC(CNC2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is IGUKXYVTFVTBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c11-9-2-1-8(5-9)6-12-10-3-4-15(13,14)7-10/h8-10,12H,1-7,11H2.
What are the key properties of N-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine?
N-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 232.35 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 105491866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).