2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine

C10H22ClNO3S — CID 106730931

IUPAC2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine
SMILESCCCS(=O)(=O)CCN(C)CC(Cl)COC
InChIInChI=1S/C10H22ClNO3S/c1-4-6-16(13,14)7-5-12(2)8-10(11)9-15-3/h10H,4-9H2,1-3H3
InChIKeyZYZVWGIBPBJPJU-UHFFFAOYSA-N
MW271.81 g/mol
LogP1.00
Rot. Bonds9

About 2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine

2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine (PubChem CID 106730931) has the molecular formula C10H22ClNO3S and a molecular weight of 271.81 g/mol. Its IUPAC name is 2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine.

Molecular Properties

Compound Name2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine
PubChem CID106730931
Molecular FormulaC10H22ClNO3S
Molecular Weight271.81 g/mol
Exact Mass271.10
IUPAC Name2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine
SMILESCCCS(=O)(=O)CCN(C)CC(Cl)COC
InChIInChI=1S/C10H22ClNO3S/c1-4-6-16(13,14)7-5-12(2)8-10(11)9-15-3/h10H,4-9H2,1-3H3
InChIKeyZYZVWGIBPBJPJU-UHFFFAOYSA-N
XLogP1.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-methoxy-N-methyl-N-(2-propoxyethyl)propan-1-amine
CID 106457635
N'-(2-chloro-3-methoxypropyl)-N,N,N'-trimethylethane-1,2-diamine
CID 63387619
N-(2-chloro-3-methoxypropyl)-N',N'-diethyl-N-methylethane-1,2-diamine
CID 107913644
N-(2-chloro-3-methoxypropyl)-N,2-dimethylbutan-1-amine
CID 63387954
N-(2-chloro-3-methoxypropyl)-N-methylmethanesulfonamide
CID 63400618
N-(2-chloro-3-methoxypropyl)-N,3,3-trimethylbutane-1-sulfonamide
CID 103521709
1-propylsulfonylpropane
CID 11709
2-chloro-N-[(E)-3-chloroprop-2-enyl]-3-methoxy-N-methylpropan-1-amine
CID 107901004
(E)-N-(2-chloro-3-methoxypropyl)-N-methylbut-2-en-1-amine
CID 107897678
N-(2-chloro-3-methoxypropyl)-N-methyl-2-propylpentanamide
CID 82987196
1-[2-ethylsulfonylethyl(methyl)amino]propan-2-ol
CID 62333760
N-(2-chloroethyl)-2-methoxy-N-(2-propylsulfonylethyl)ethanamine
CID 106731287

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine?
The IUPAC name of 2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine (CID 106730931) is 2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine.
What is the SMILES notation for 2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine?
The canonical SMILES for 2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine is CCCS(=O)(=O)CCN(C)CC(Cl)COC.
What is the InChIKey of 2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine?
The InChIKey is ZYZVWGIBPBJPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO3S/c1-4-6-16(13,14)7-5-12(2)8-10(11)9-15-3/h10H,4-9H2,1-3H3.
What are the key properties of 2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine?
2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 1.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxy-N-methyl-N-(2-propylsulfonylethyl)propan-1-amine is sourced from PubChem (CID 106730931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).