N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine

C11H25NO2S — CID 106513123

IUPACN-(2-propan-2-ylsulfonylpropyl)pentan-2-amine
SMILESCCCC(C)NCC(C)S(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO2S/c1-6-7-10(4)12-8-11(5)15(13,14)9(2)3/h9-12H,6-8H2,1-5H3
InChIKeyRGRREWGZXHNAIP-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.98
Rot. Bonds7

About N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine

N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine (PubChem CID 106513123) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylsulfonylpropyl)pentan-2-amine
PubChem CID106513123
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-(2-propan-2-ylsulfonylpropyl)pentan-2-amine
SMILESCCCC(C)NCC(C)S(=O)(=O)C(C)C
InChIInChI=1S/C11H25NO2S/c1-6-7-10(4)12-8-11(5)15(13,14)9(2)3/h9-12H,6-8H2,1-5H3
InChIKeyRGRREWGZXHNAIP-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-N-pentan-2-ylbutane-1,2-diamine
CID 107886793
N-[2-(2-chlorophenyl)sulfonylpropyl]pentan-2-amine
CID 106512617
1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine
CID 62570127
methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate
CID 107886724
N-[2-(pentan-2-ylamino)ethyl]ethanesulfonamide
CID 115713387
N-(3-ethylsulfonylpropyl)pentan-2-amine
CID 65093932
N-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine
CID 107757268
2-methyl-3-(pentan-2-ylamino)propan-1-ol
CID 65031909
N-(2,2-dimethoxyethyl)pentan-2-amine
CID 60816170
N-(2-chlorobutyl)pentan-2-amine
CID 107887575
N-[3-(pentan-2-ylamino)propyl]ethanesulfonamide
CID 115715062
1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol
CID 103787947

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine?
The IUPAC name of N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine (CID 106513123) is N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine.
What is the SMILES notation for N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine?
The canonical SMILES for N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine is CCCC(C)NCC(C)S(=O)(=O)C(C)C.
What is the InChIKey of N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine?
The InChIKey is RGRREWGZXHNAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-6-7-10(4)12-8-11(5)15(13,14)9(2)3/h9-12H,6-8H2,1-5H3.
What are the key properties of N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine?
N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine has a molecular weight of 235.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine is sourced from PubChem (CID 106513123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).