2-methylpropane-2-thiol;1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine

C14H29NS — CID 142269125

IUPAC2-methylpropane-2-thiol;1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1CCCN1C(C)C.CC(C)(C)S
InChIInChI=1S/C10H19N.C4H10S/c1-8(2)10-6-5-7-11(10)9(3)4;1-4(2,3)5/h9-10H,1,5-7H2,2-4H3;5H,1-3H3
InChIKeyVUEHDCQWWQPFKB-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.15
Rot. Bonds2

About 2-methylpropane-2-thiol;1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine

2-methylpropane-2-thiol;1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine (PubChem CID 142269125) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 2-methylpropane-2-thiol;1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name2-methylpropane-2-thiol;1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine
PubChem CID142269125
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name2-methylpropane-2-thiol;1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1CCCN1C(C)C.CC(C)(C)S
InChIInChI=1S/C10H19N.C4H10S/c1-8(2)10-6-5-7-11(10)9(3)4;1-4(2,3)5/h9-10H,1,5-7H2,2-4H3;5H,1-3H3
InChIKeyVUEHDCQWWQPFKB-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine
CID 170075342
(5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine
CID 134855165
1-Butyl-2-isopropyl-4-methylenepyrrolidine
CID 14143984
1-Methyl-2-prop-1-en-2-ylpyrrolidine
CID 58128415
4-Methylidene-1,2-di(propan-2-yl)pyrrolidine
CID 58402786
(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine
CID 59610152
(2S)-1-methyl-4-methylidene-2-propan-2-ylpyrrolidine
CID 67522534
1-Propan-2-yl-2-prop-1-en-2-ylpyrrolidine
CID 67564463
1-Methyl-4-methylidene-2-propan-2-ylpyrrolidine
CID 67992815
(2R)-2-methyl-4-methylidene-1-propan-2-ylpyrrolidine
CID 67992837
2-Methyl-4-methylidene-1-propan-2-ylpyrrolidine
CID 77393669
(2S,4R)-1,4-dimethyl-2-prop-1-en-2-ylpyrrolidine
CID 88994771

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-2-thiol;1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine?
The IUPAC name of 2-methylpropane-2-thiol;1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine (CID 142269125) is 2-methylpropane-2-thiol;1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for 2-methylpropane-2-thiol;1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for 2-methylpropane-2-thiol;1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine is C=C(C)C1CCCN1C(C)C.CC(C)(C)S.
What is the InChIKey of 2-methylpropane-2-thiol;1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine?
The InChIKey is VUEHDCQWWQPFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C4H10S/c1-8(2)10-6-5-7-11(10)9(3)4;1-4(2,3)5/h9-10H,1,5-7H2,2-4H3;5H,1-3H3.
What are the key properties of 2-methylpropane-2-thiol;1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine?
2-methylpropane-2-thiol;1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine has a molecular weight of 243.46 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-2-thiol;1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 142269125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).