N-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine

C12H27NO2S — CID 106512934

IUPACN-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)S(=O)(=O)CC(C)C
InChIInChI=1S/C12H27NO2S/c1-6-12(7-2)13-8-11(5)16(14,15)9-10(3)4/h10-13H,6-9H2,1-5H3
InChIKeyGIYKREWQHUYGDI-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.22
Rot. Bonds8

About N-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine

N-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine (PubChem CID 106512934) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine
PubChem CID106512934
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)S(=O)(=O)CC(C)C
InChIInChI=1S/C12H27NO2S/c1-6-12(7-2)13-8-11(5)16(14,15)9-10(3)4/h10-13H,6-9H2,1-5H3
InChIKeyGIYKREWQHUYGDI-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propylsulfonylpropyl)pentan-3-amine
CID 106513322
2-(2-methylpropylsulfonyl)-N-prop-2-ynylpropan-1-amine
CID 106512947
N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106032073
3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine
CID 102904025
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 103918485
N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 104981900
2-(2-methylpropylsulfonyl)butan-1-amine
CID 64696769
1-(diiodomethylsulfonyl)-2-methylpropane
CID 21439589
4-(2-methylpropylsulfonyl)heptane
CID 142872374
3-methyl-1-(pentan-3-ylamino)butan-2-ol
CID 115720488
N,2-dimethyl-N'-pentan-3-ylpropane-1,3-diamine
CID 115303228
2-methyl-N-pentan-3-ylpentan-1-amine
CID 43204323

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine?
The IUPAC name of N-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine (CID 106512934) is N-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine.
What is the SMILES notation for N-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine?
The canonical SMILES for N-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine is CCC(CC)NCC(C)S(=O)(=O)CC(C)C.
What is the InChIKey of N-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine?
The InChIKey is GIYKREWQHUYGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-6-12(7-2)13-8-11(5)16(14,15)9-10(3)4/h10-13H,6-9H2,1-5H3.
What are the key properties of N-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine?
N-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine has a molecular weight of 249.42 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylsulfonyl)propyl]pentan-3-amine is sourced from PubChem (CID 106512934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).