2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine

C14H29NO3S — CID 106730333

IUPAC2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
SMILESCOCCNCC(C)(CCS(=O)(=O)C(C)C)C1CC1
InChIInChI=1S/C14H29NO3S/c1-12(2)19(16,17)10-7-14(3,13-5-6-13)11-15-8-9-18-4/h12-13,15H,5-11H2,1-4H3
InChIKeyMNRCWKOZXKMKLP-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.85
Rot. Bonds10

About 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine

2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine (PubChem CID 106730333) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
PubChem CID106730333
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
SMILESCOCCNCC(C)(CCS(=O)(=O)C(C)C)C1CC1
InChIInChI=1S/C14H29NO3S/c1-12(2)19(16,17)10-7-14(3,13-5-6-13)11-15-8-9-18-4/h12-13,15H,5-11H2,1-4H3
InChIKeyMNRCWKOZXKMKLP-UHFFFAOYSA-N
XLogP1.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.85
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

2-cyclopropyl-2-methyl-N-(2-methylpropyl)-4-propan-2-ylsulfonylbutan-1-amine
CID 106730330
2-ethyl-N-(2-methoxyethyl)-2-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 106729932
2-cyclopropyl-N-(2-methoxyethyl)-2-methyldecan-1-amine
CID 83160454
2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 83159358
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine
CID 83160361
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 83150803
2-cyclopropyl-N-ethyl-5-methoxy-2-methylpentan-1-amine
CID 83159680
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 83160456
2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine
CID 104649541
4-ethylsulfonyl-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62726162
2-cyclopropyl-3-(2,6-dimethylphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159632
2-methoxy-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]ethanamine
CID 106730051

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The IUPAC name of 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine (CID 106730333) is 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine is COCCNCC(C)(CCS(=O)(=O)C(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine?
The InChIKey is MNRCWKOZXKMKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-12(2)19(16,17)10-7-14(3,13-5-6-13)11-15-8-9-18-4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine?
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 1.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine is sourced from PubChem (CID 106730333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).