(2R)-2-methylsulfanyl-1-propan-2-yl-2,3-dihydropyrrole

C8H15NS — CID 147776020

IUPAC(2R)-2-methylsulfanyl-1-propan-2-yl-2,3-dihydropyrrole
SMILESCS[C@@H]1CC=CN1C(C)C
InChIInChI=1S/C8H15NS/c1-7(2)9-6-4-5-8(9)10-3/h4,6-8H,5H2,1-3H3/t8-/m1/s1
InChIKeyHGVTZQCUGJFQSI-MRVPVSSYSA-N
MW157.28 g/mol
LogP2.30
Rot. Bonds2

About (2R)-2-methylsulfanyl-1-propan-2-yl-2,3-dihydropyrrole

(2R)-2-methylsulfanyl-1-propan-2-yl-2,3-dihydropyrrole (PubChem CID 147776020) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (2R)-2-methylsulfanyl-1-propan-2-yl-2,3-dihydropyrrole.

Molecular Properties

Compound Name(2R)-2-methylsulfanyl-1-propan-2-yl-2,3-dihydropyrrole
PubChem CID147776020
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(2R)-2-methylsulfanyl-1-propan-2-yl-2,3-dihydropyrrole
SMILESCS[C@@H]1CC=CN1C(C)C
InChIInChI=1S/C8H15NS/c1-7(2)9-6-4-5-8(9)10-3/h4,6-8H,5H2,1-3H3/t8-/m1/s1
InChIKeyHGVTZQCUGJFQSI-MRVPVSSYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-ethyl-N-[(E)-(3-methyl-3H-thiophen-2-ylidene)methyl]propan-2-amine
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1-(2-Methylsulfanylethyl)-2,3-dihydropyrrole
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfanyl-1-propan-2-yl-2,3-dihydropyrrole?
The IUPAC name of (2R)-2-methylsulfanyl-1-propan-2-yl-2,3-dihydropyrrole (CID 147776020) is (2R)-2-methylsulfanyl-1-propan-2-yl-2,3-dihydropyrrole.
What is the SMILES notation for (2R)-2-methylsulfanyl-1-propan-2-yl-2,3-dihydropyrrole?
The canonical SMILES for (2R)-2-methylsulfanyl-1-propan-2-yl-2,3-dihydropyrrole is CS[C@@H]1CC=CN1C(C)C.
What is the InChIKey of (2R)-2-methylsulfanyl-1-propan-2-yl-2,3-dihydropyrrole?
The InChIKey is HGVTZQCUGJFQSI-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15NS/c1-7(2)9-6-4-5-8(9)10-3/h4,6-8H,5H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-2-methylsulfanyl-1-propan-2-yl-2,3-dihydropyrrole?
(2R)-2-methylsulfanyl-1-propan-2-yl-2,3-dihydropyrrole has a molecular weight of 157.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfanyl-1-propan-2-yl-2,3-dihydropyrrole is sourced from PubChem (CID 147776020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).