N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine

C12H23NO2S — CID 65194272

IUPACN-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(C2CCS(=O)(=O)C2)CCC1
InChIInChI=1S/C12H23NO2S/c1-10(2)13-9-12(5-3-6-12)11-4-7-16(14,15)8-11/h10-11,13H,3-9H2,1-2H3
InChIKeyLZYGOIQWPLDBQR-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.59
Rot. Bonds4

About N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine

N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine (PubChem CID 65194272) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine
PubChem CID65194272
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(C2CCS(=O)(=O)C2)CCC1
InChIInChI=1S/C12H23NO2S/c1-10(2)13-9-12(5-3-6-12)11-4-7-16(14,15)8-11/h10-11,13H,3-9H2,1-2H3
InChIKeyLZYGOIQWPLDBQR-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(1,1-dioxothiolan-3-yl)oxan-4-yl]methyl]propan-2-amine
CID 62907476
N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-1-amine
CID 65194993
N-[(1-cyclohexylcyclohexyl)methyl]propan-2-amine
CID 82933466
N-[[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclopentyl]methyl]propan-2-amine
CID 62724602
N-[[1-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)cyclobutyl]methyl]propan-2-amine
CID 65194271
1-(1,1-dioxothiolan-3-yl)-4-propan-2-ylcyclohexan-1-amine
CID 65421162
1-(1,1-dioxothiolan-3-yl)cyclooctan-1-amine
CID 80603828
3-[3-(2-propan-2-ylsulfonylethyl)azetidin-3-yl]thiolane 1,1-dioxide
CID 106734964
N-[[3-(2-methoxyethyl)-1,1-dioxothiolan-3-yl]methyl]propan-2-amine
CID 115003005
N-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine
CID 55106931
3-(3-butylazetidin-3-yl)thiolane 1,1-dioxide
CID 79451711
N-[(1-ethylcyclopropyl)methyl]propan-2-amine
CID 66026004

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine (CID 65194272) is N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine is CC(C)NCC1(C2CCS(=O)(=O)C2)CCC1.
What is the InChIKey of N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is LZYGOIQWPLDBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-10(2)13-9-12(5-3-6-12)11-4-7-16(14,15)8-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine?
N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 245.39 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,1-dioxothiolan-3-yl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 65194272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).