2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C13H27NO2S — CID 106723973

IUPAC2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCC(C)S(=O)(=O)CCNCC1C(C)(C)C1(C)C
InChIInChI=1S/C13H27NO2S/c1-10(2)17(15,16)8-7-14-9-11-12(3,4)13(11,5)6/h10-11,14H,7-9H2,1-6H3
InChIKeyWDPIHENPKDYLJF-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.08
Rot. Bonds6

About 2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 106723973) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID106723973
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCC(C)S(=O)(=O)CCNCC1C(C)(C)C1(C)C
InChIInChI=1S/C13H27NO2S/c1-10(2)17(15,16)8-7-14-9-11-12(3,4)13(11,5)6/h10-11,14H,7-9H2,1-6H3
InChIKeyWDPIHENPKDYLJF-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine
CID 106221548
N-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106121423
N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723502
2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106513185
N-[(3-methyloxetan-3-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106724002
6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 107844658
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
1-methyl-N-(2-propan-2-ylsulfonylethyl)cyclobutan-1-amine
CID 106724457
4-methylsulfanyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106724466
2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724434
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
CID 106513174

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of 2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 106723973) is 2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CC(C)S(=O)(=O)CCNCC1C(C)(C)C1(C)C.
What is the InChIKey of 2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is WDPIHENPKDYLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-10(2)17(15,16)8-7-14-9-11-12(3,4)13(11,5)6/h10-11,14H,7-9H2,1-6H3.
What are the key properties of 2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 261.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 106723973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).