1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine

C10H21NS — CID 118965706

IUPAC1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine
SMILESCC(C)SC1CCN(C(C)C)C1
InChIInChI=1S/C10H21NS/c1-8(2)11-6-5-10(7-11)12-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeySNOHFMOVZSWNMR-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.61
Rot. Bonds3

About 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine

1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine (PubChem CID 118965706) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine.

Molecular Properties

Compound Name1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine
PubChem CID118965706
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine
SMILESCC(C)SC1CCN(C(C)C)C1
InChIInChI=1S/C10H21NS/c1-8(2)11-6-5-10(7-11)12-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeySNOHFMOVZSWNMR-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylbutyl)-4-propan-2-ylsulfanylpiperidine
CID 167480358
(3R,4R)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 170359650
(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 147690479
(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
CID 137467561
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 164996340
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
4-methylsulfanyl-1-propan-2-ylazepane
CID 142624919
(3R)-3-ethynyl-1-propan-2-ylpyrrolidine
CID 58029510
4-propan-2-ylsulfanylpiperidine-1-carbonitrile
CID 130905476
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine?
The IUPAC name of 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine (CID 118965706) is 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine.
What is the SMILES notation for 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine?
The canonical SMILES for 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine is CC(C)SC1CCN(C(C)C)C1.
What is the InChIKey of 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine?
The InChIKey is SNOHFMOVZSWNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-8(2)11-6-5-10(7-11)12-9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine?
1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine has a molecular weight of 187.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine is sourced from PubChem (CID 118965706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).