1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine

C9H21NO3S — CID 64631820

IUPAC1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine
SMILESCC(CS(C)(=O)=O)NCCOC(C)C
InChIInChI=1S/C9H21NO3S/c1-8(2)13-6-5-10-9(3)7-14(4,11)12/h8-10H,5-7H2,1-4H3
InChIKeyXWCZXKMEBYUISR-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.43
Rot. Bonds7

About 1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine

1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine (PubChem CID 64631820) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine
PubChem CID64631820
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine
SMILESCC(CS(C)(=O)=O)NCCOC(C)C
InChIInChI=1S/C9H21NO3S/c1-8(2)13-6-5-10-9(3)7-14(4,11)12/h8-10H,5-7H2,1-4H3
InChIKeyXWCZXKMEBYUISR-UHFFFAOYSA-N
XLogP0.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine
CID 81092736
1-(1-methylsulfonylpropan-2-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 64643205
N-(3-ethenoxypropyl)-1-methylsulfonylpropan-2-amine
CID 64629913
1-chloro-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 65025563
1-methoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 60688575
N-(1-methylsulfonylpropan-2-yl)heptan-1-amine
CID 64629373
N-(2-propan-2-yloxyethyl)propan-2-amine
CID 21034307
N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine
CID 107445725
5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
CID 107270412
methyl 4-(1-methylsulfonylpropan-2-ylamino)butanoate
CID 64629341
1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723818
2-(1-methylsulfonylpropan-2-ylamino)ethylurea
CID 83111655

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine?
The IUPAC name of 1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine (CID 64631820) is 1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine?
The canonical SMILES for 1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine is CC(CS(C)(=O)=O)NCCOC(C)C.
What is the InChIKey of 1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine?
The InChIKey is XWCZXKMEBYUISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-8(2)13-6-5-10-9(3)7-14(4,11)12/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine?
1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine has a molecular weight of 223.34 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine is sourced from PubChem (CID 64631820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).