N-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine

C13H24N2O2S — CID 104870090

IUPACN-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine
SMILESO=S1(=O)CCC(N(CC2CCCNC2)C2CC2)C1
InChIInChI=1S/C13H24N2O2S/c16-18(17)7-5-13(10-18)15(12-3-4-12)9-11-2-1-6-14-8-11/h11-14H,1-10H2
InChIKeyYVIPOOLNSLHFQW-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.64
Rot. Bonds4

About N-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine

N-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine (PubChem CID 104870090) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine
PubChem CID104870090
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine
SMILESO=S1(=O)CCC(N(CC2CCCNC2)C2CC2)C1
InChIInChI=1S/C13H24N2O2S/c16-18(17)7-5-13(10-18)15(12-3-4-12)9-11-2-1-6-14-8-11/h11-14H,1-10H2
InChIKeyYVIPOOLNSLHFQW-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-ethyl-1,1-dioxo-N-[[(3S)-piperidin-3-yl]methyl]thiolan-3-amine
CID 129413675
N-cyclopropyl-N-(piperidin-3-ylmethyl)spiro[4.5]decan-8-amine
CID 106624955
N-cyclopropyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624960
4-[cyclopropyl(piperidin-3-ylmethyl)amino]azepan-2-one
CID 106639774
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642515
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
N-cyclopropyl-2,5-dimethyl-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 106624758
N-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 54973935
N-cyclopropyl-N-(piperidin-3-ylmethyl)methanesulfonamide
CID 106631170
N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide
CID 119268053
N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpiperidine-3-carboxamide
CID 54874470
2-[cyclobutyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 102870203

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine?
The IUPAC name of N-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine (CID 104870090) is N-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine.
What is the SMILES notation for N-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine?
The canonical SMILES for N-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine is O=S1(=O)CCC(N(CC2CCCNC2)C2CC2)C1.
What is the InChIKey of N-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine?
The InChIKey is YVIPOOLNSLHFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c16-18(17)7-5-13(10-18)15(12-3-4-12)9-11-2-1-6-14-8-11/h11-14H,1-10H2.
What are the key properties of N-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine?
N-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine has a molecular weight of 272.41 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 104870090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).