(2S)-4-methyl-1-(2-methyl-1,3-dithian-2-yl)pentan-2-amine

C11H23NS2 — CID 10704819

IUPAC(2S)-4-methyl-1-(2-methyl-1,3-dithian-2-yl)pentan-2-amine
SMILESCC(C)C[C@H](N)CC1(C)SCCCS1
InChIInChI=1S/C11H23NS2/c1-9(2)7-10(12)8-11(3)13-5-4-6-14-11/h9-10H,4-8,12H2,1-3H3/t10-/m0/s1
InChIKeyFMKYMZJDLOHNBO-JTQLQIEISA-N
MW233.45 g/mol
LogP3.34
Rot. Bonds4

About (2S)-4-methyl-1-(2-methyl-1,3-dithian-2-yl)pentan-2-amine

(2S)-4-methyl-1-(2-methyl-1,3-dithian-2-yl)pentan-2-amine (PubChem CID 10704819) has the molecular formula C11H23NS2 and a molecular weight of 233.45 g/mol. Its IUPAC name is (2S)-4-methyl-1-(2-methyl-1,3-dithian-2-yl)pentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-1-(2-methyl-1,3-dithian-2-yl)pentan-2-amine
PubChem CID10704819
Molecular FormulaC11H23NS2
Molecular Weight233.45 g/mol
Exact Mass233.13
IUPAC Name(2S)-4-methyl-1-(2-methyl-1,3-dithian-2-yl)pentan-2-amine
SMILESCC(C)C[C@H](N)CC1(C)SCCCS1
InChIInChI=1S/C11H23NS2/c1-9(2)7-10(12)8-11(3)13-5-4-6-14-11/h9-10H,4-8,12H2,1-3H3/t10-/m0/s1
InChIKeyFMKYMZJDLOHNBO-JTQLQIEISA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58388285
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CID 59602983
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CID 68521372
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CID 91512839
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CID 123318442
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CID 145558791
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CID 156061107
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CID 167190003
CID 167190003

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-(2-methyl-1,3-dithian-2-yl)pentan-2-amine?
The IUPAC name of (2S)-4-methyl-1-(2-methyl-1,3-dithian-2-yl)pentan-2-amine (CID 10704819) is (2S)-4-methyl-1-(2-methyl-1,3-dithian-2-yl)pentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-1-(2-methyl-1,3-dithian-2-yl)pentan-2-amine?
The canonical SMILES for (2S)-4-methyl-1-(2-methyl-1,3-dithian-2-yl)pentan-2-amine is CC(C)C[C@H](N)CC1(C)SCCCS1.
What is the InChIKey of (2S)-4-methyl-1-(2-methyl-1,3-dithian-2-yl)pentan-2-amine?
The InChIKey is FMKYMZJDLOHNBO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23NS2/c1-9(2)7-10(12)8-11(3)13-5-4-6-14-11/h9-10H,4-8,12H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-4-methyl-1-(2-methyl-1,3-dithian-2-yl)pentan-2-amine?
(2S)-4-methyl-1-(2-methyl-1,3-dithian-2-yl)pentan-2-amine has a molecular weight of 233.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-(2-methyl-1,3-dithian-2-yl)pentan-2-amine is sourced from PubChem (CID 10704819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).