2-(dipropylamino)-N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide

C18H34N4O2S — CID 69240639

IUPAC2-(dipropylamino)-N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide
SMILESCCCN(CCC)C(C)C(=O)NCC1CN[C@H](C(=O)N2CCSC2)C1
InChIInChI=1S/C18H34N4O2S/c1-4-6-21(7-5-2)14(3)17(23)20-12-15-10-16(19-11-15)18(24)22-8-9-25-13-22/h14-16,19H,4-13H2,1-3H3,(H,20,23)/t14?,15?,16-/m0/s1
InChIKeyPGMLLBSZTVSOSS-GPANFISMSA-N
MW370.56 g/mol
LogP1.12
Rot. Bonds9

About 2-(dipropylamino)-N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide

2-(dipropylamino)-N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide (PubChem CID 69240639) has the molecular formula C18H34N4O2S and a molecular weight of 370.56 g/mol. Its IUPAC name is 2-(dipropylamino)-N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(dipropylamino)-N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide
PubChem CID69240639
Molecular FormulaC18H34N4O2S
Molecular Weight370.56 g/mol
Exact Mass370.24
IUPAC Name2-(dipropylamino)-N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide
SMILESCCCN(CCC)C(C)C(=O)NCC1CN[C@H](C(=O)N2CCSC2)C1
InChIInChI=1S/C18H34N4O2S/c1-4-6-21(7-5-2)14(3)17(23)20-12-15-10-16(19-11-15)18(24)22-8-9-25-13-22/h14-16,19H,4-13H2,1-3H3,(H,20,23)/t14?,15?,16-/m0/s1
InChIKeyPGMLLBSZTVSOSS-GPANFISMSA-N
XLogP1.12
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 2-(dipropylamino)-N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide (CID 69240639) is 2-(dipropylamino)-N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 2-(dipropylamino)-N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 2-(dipropylamino)-N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide is CCCN(CCC)C(C)C(=O)NCC1CN[C@H](C(=O)N2CCSC2)C1.
What is the InChIKey of 2-(dipropylamino)-N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide?
The InChIKey is PGMLLBSZTVSOSS-GPANFISMSA-N. The full InChI is InChI=1S/C18H34N4O2S/c1-4-6-21(7-5-2)14(3)17(23)20-12-15-10-16(19-11-15)18(24)22-8-9-25-13-22/h14-16,19H,4-13H2,1-3H3,(H,20,23)/t14?,15?,16-/m0/s1.
What are the key properties of 2-(dipropylamino)-N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide?
2-(dipropylamino)-N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide has a molecular weight of 370.56 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-N-[[(5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 69240639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).