N-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine

C16H26N2O2S — CID 43648827

IUPACN-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine
SMILESCCCNC(C)c1ccccc1N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H26N2O2S/c1-4-10-17-13(2)15-7-5-6-8-16(15)18(3)14-9-11-21(19,20)12-14/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyMONHJPVUIZCSRS-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.37
Rot. Bonds6

About N-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine

N-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine (PubChem CID 43648827) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine
PubChem CID43648827
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine
SMILESCCCNC(C)c1ccccc1N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H26N2O2S/c1-4-10-17-13(2)15-7-5-6-8-16(15)18(3)14-9-11-21(19,20)12-14/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyMONHJPVUIZCSRS-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine
CID 43614164
N-cyclohexyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284184
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62750457
N-methyl-N-(2-methylcyclohexyl)-2-[1-(propylamino)ethyl]aniline
CID 63532695
N-ethyl-N-phenyl-2-[1-(propylamino)ethyl]aniline
CID 43284277
N-[3-chloro-2-(propylaminomethyl)phenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648945
6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine
CID 80789903
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648817
N-[2-(2-aminoethyl)phenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 63783247
N-[(1,1-dioxothiolan-3-yl)-(2-ethylphenyl)methyl]propan-1-amine
CID 62390710
N-benzyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284092
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62282100

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine?
The IUPAC name of N-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine (CID 43648827) is N-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine.
What is the SMILES notation for N-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine?
The canonical SMILES for N-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine is CCCNC(C)c1ccccc1N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine?
The InChIKey is MONHJPVUIZCSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-10-17-13(2)15-7-5-6-8-16(15)18(3)14-9-11-21(19,20)12-14/h5-8,13-14,17H,4,9-12H2,1-3H3.
What are the key properties of N-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine?
N-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine has a molecular weight of 310.46 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxo-N-[2-[1-(propylamino)ethyl]phenyl]thiolan-3-amine is sourced from PubChem (CID 43648827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).