N-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine

C14H27NO3S — CID 55083990

IUPACN-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine
SMILESCC(C)OCCC(CNC1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H27NO3S/c1-11(2)18-7-5-12(9-15-14-3-4-14)13-6-8-19(16,17)10-13/h11-15H,3-10H2,1-2H3
InChIKeyOEAPGHDADSLINN-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.60
Rot. Bonds8

About N-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine

N-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine (PubChem CID 55083990) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine
PubChem CID55083990
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC NameN-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine
SMILESCC(C)OCCC(CNC1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H27NO3S/c1-11(2)18-7-5-12(9-15-14-3-4-14)13-6-8-19(16,17)10-13/h11-15H,3-10H2,1-2H3
InChIKeyOEAPGHDADSLINN-UHFFFAOYSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine?
The IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine (CID 55083990) is N-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine?
The canonical SMILES for N-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine is CC(C)OCCC(CNC1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine?
The InChIKey is OEAPGHDADSLINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-11(2)18-7-5-12(9-15-14-3-4-14)13-6-8-19(16,17)10-13/h11-15H,3-10H2,1-2H3.
What are the key properties of N-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine?
N-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine has a molecular weight of 289.44 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybutyl]cyclopropanamine is sourced from PubChem (CID 55083990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).