(3R)-5,5-dimethyl-3-propylpyrrolidine-3-thiol

C9H19NS — CID 134398781

IUPAC(3R)-5,5-dimethyl-3-propylpyrrolidine-3-thiol
SMILESCCC[C@]1(S)CNC(C)(C)C1
InChIInChI=1S/C9H19NS/c1-4-5-9(11)6-8(2,3)10-7-9/h10-11H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyKDVPVAZRFXULNB-SECBINFHSA-N
MW173.32 g/mol
LogP2.23
Rot. Bonds2

About (3R)-5,5-dimethyl-3-propylpyrrolidine-3-thiol

(3R)-5,5-dimethyl-3-propylpyrrolidine-3-thiol (PubChem CID 134398781) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is (3R)-5,5-dimethyl-3-propylpyrrolidine-3-thiol.

Molecular Properties

Compound Name(3R)-5,5-dimethyl-3-propylpyrrolidine-3-thiol
PubChem CID134398781
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name(3R)-5,5-dimethyl-3-propylpyrrolidine-3-thiol
SMILESCCC[C@]1(S)CNC(C)(C)C1
InChIInChI=1S/C9H19NS/c1-4-5-9(11)6-8(2,3)10-7-9/h10-11H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyKDVPVAZRFXULNB-SECBINFHSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethyl-4-fluoro-4-methyl-2-propylpyrrolidine
CID 177059837
1,1,3-trimethyl-3-propylcyclopentane
CID 123680922
[1,3,5-tripropyl-3,5-bis(sulfanylmethyl)cyclohexyl]methanethiol
CID 102497626
3-methyl-3-propylpyrrolidine
CID 22393542
(3S)-3-methyl-3-propylpyrrolidine
CID 94411768
2,2-dimethyl-4-pentylpyrrolidine
CID 171473094
2,2-diethyl-5,5-dimethylpiperazine
CID 64884641
4-ethylpiperidine-4-thiol
CID 54175704
1-butyl-1,3,3-trimethylcyclobutane
CID 91249753
2,4,4-trimethyl-2-propyl-1,3-oxazolidine
CID 117228404
2,2,4,4,7,7-hexamethylazocan-5-amine
CID 130312303
(4S)-4-butyl-2,2-dimethylpyrrolidine
CID 139399971

Frequently Asked Questions

What is the IUPAC name of (3R)-5,5-dimethyl-3-propylpyrrolidine-3-thiol?
The IUPAC name of (3R)-5,5-dimethyl-3-propylpyrrolidine-3-thiol (CID 134398781) is (3R)-5,5-dimethyl-3-propylpyrrolidine-3-thiol.
What is the SMILES notation for (3R)-5,5-dimethyl-3-propylpyrrolidine-3-thiol?
The canonical SMILES for (3R)-5,5-dimethyl-3-propylpyrrolidine-3-thiol is CCC[C@]1(S)CNC(C)(C)C1.
What is the InChIKey of (3R)-5,5-dimethyl-3-propylpyrrolidine-3-thiol?
The InChIKey is KDVPVAZRFXULNB-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-5-9(11)6-8(2,3)10-7-9/h10-11H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of (3R)-5,5-dimethyl-3-propylpyrrolidine-3-thiol?
(3R)-5,5-dimethyl-3-propylpyrrolidine-3-thiol has a molecular weight of 173.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5,5-dimethyl-3-propylpyrrolidine-3-thiol is sourced from PubChem (CID 134398781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).