N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine

C14H31NO2S — CID 106729671

IUPACN-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
SMILESCCCC(CCS(=O)(=O)C(C)C)CNCC(C)C
InChIInChI=1S/C14H31NO2S/c1-6-7-14(11-15-10-12(2)3)8-9-18(16,17)13(4)5/h12-15H,6-11H2,1-5H3
InChIKeySXKYPYWGYPEZRV-UHFFFAOYSA-N
MW277.47 g/mol
LogP2.86
Rot. Bonds10

About N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine

N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine (PubChem CID 106729671) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
PubChem CID106729671
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC NameN-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
SMILESCCCC(CCS(=O)(=O)C(C)C)CNCC(C)C
InChIInChI=1S/C14H31NO2S/c1-6-7-14(11-15-10-12(2)3)8-9-18(16,17)13(4)5/h12-15H,6-11H2,1-5H3
InChIKeySXKYPYWGYPEZRV-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729659
N,2-diethyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729692
N-(2-methylpropyl)-2-propylheptan-1-amine
CID 63523290
2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 62516582
2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine
CID 64675618
2-(ethoxymethyl)-N-(2-methylpropyl)pentan-1-amine
CID 103984246
1-bromo-2-(propan-2-ylsulfonylmethyl)pentane
CID 65013509
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(2-methylpropyl)pentan-1-amine
CID 104566397
1-(ethylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734200
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
2-ethyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63520986
3,3-dimethyl-N-(2-methylpropyl)-5-propan-2-ylsulfonylpentan-1-amine
CID 106735479

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine (CID 106729671) is N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine is CCCC(CCS(=O)(=O)C(C)C)CNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine?
The InChIKey is SXKYPYWGYPEZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-6-7-14(11-15-10-12(2)3)8-9-18(16,17)13(4)5/h12-15H,6-11H2,1-5H3.
What are the key properties of N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine?
N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine has a molecular weight of 277.47 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine is sourced from PubChem (CID 106729671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).