1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine

C10H23NO2S2 — CID 65136361

IUPAC1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine
SMILESCCC(C)SCC(N)CCCS(C)(=O)=O
InChIInChI=1S/C10H23NO2S2/c1-4-9(2)14-8-10(11)6-5-7-15(3,12)13/h9-10H,4-8,11H2,1-3H3
InChIKeyNYELLNHRQCAMKA-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.67
Rot. Bonds8

About 1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine

1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine (PubChem CID 65136361) has the molecular formula C10H23NO2S2 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine
PubChem CID65136361
Molecular FormulaC10H23NO2S2
Molecular Weight253.43 g/mol
Exact Mass253.12
IUPAC Name1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine
SMILESCCC(C)SCC(N)CCCS(C)(=O)=O
InChIInChI=1S/C10H23NO2S2/c1-4-9(2)14-8-10(11)6-5-7-15(3,12)13/h9-10H,4-8,11H2,1-3H3
InChIKeyNYELLNHRQCAMKA-UHFFFAOYSA-N
XLogP1.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-yl)hydrazine
CID 105227073
1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine
CID 115516900
1-methylsulfonylnonan-3-amine
CID 115848427
1-methylsulfonyldodecan-3-amine
CID 115848423
1-ethylsulfanyl-4-methylsulfonylbutan-2-amine
CID 65127514
1-(2-methylphenyl)sulfanyl-5-methylsulfonylpentan-2-amine
CID 66099255
7-(3-methylsulfonylpropyl)tridecane
CID 134251360
6-methylsulfonyl-1-propoxyhexan-3-amine
CID 105113081
6-methylsulfonyl-3-propan-2-ylhexan-2-amine
CID 63191205
1-propan-2-ylsulfanyldodecan-2-amine
CID 65131587
5-methyl-1-methylsulfonylheptan-3-amine
CID 115848498
1-methylsulfonylnonane
CID 19089493

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine?
The IUPAC name of 1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine (CID 65136361) is 1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine.
What is the SMILES notation for 1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine?
The canonical SMILES for 1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine is CCC(C)SCC(N)CCCS(C)(=O)=O.
What is the InChIKey of 1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine?
The InChIKey is NYELLNHRQCAMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S2/c1-4-9(2)14-8-10(11)6-5-7-15(3,12)13/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine?
1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine is sourced from PubChem (CID 65136361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).