2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide

C16H31N3O2S — CID 129352911

IUPAC2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide
SMILESCC(C)(C)SCC(=O)N[C@H]1CCN(CCN2CCOCC2)C1
InChIInChI=1S/C16H31N3O2S/c1-16(2,3)22-13-15(20)17-14-4-5-19(12-14)7-6-18-8-10-21-11-9-18/h14H,4-13H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyTYMFQNSNUFFSTE-AWEZNQCLSA-N
MW329.51 g/mol
LogP1.04
Rot. Bonds6

About 2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide

2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide (PubChem CID 129352911) has the molecular formula C16H31N3O2S and a molecular weight of 329.51 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide
PubChem CID129352911
Molecular FormulaC16H31N3O2S
Molecular Weight329.51 g/mol
Exact Mass329.21
IUPAC Name2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide
SMILESCC(C)(C)SCC(=O)N[C@H]1CCN(CCN2CCOCC2)C1
InChIInChI=1S/C16H31N3O2S/c1-16(2,3)22-13-15(20)17-14-4-5-19(12-14)7-6-18-8-10-21-11-9-18/h14H,4-13H2,1-3H3,(H,17,20)/t14-/m0/s1
InChIKeyTYMFQNSNUFFSTE-AWEZNQCLSA-N
XLogP1.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]but-2-ynamide
CID 146083594
3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide
CID 95628573
N-methyl-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 60819990
2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171016
tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate
CID 103618127
2-hydroxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167938541
8-methoxy-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167943617
N-[(3S)-1-[2-[(3S)-3-(propanoylamino)piperidin-1-yl]ethyl]piperidin-3-yl]propanamide
CID 96549596
N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-morpholin-4-ylpropanamide
CID 45205353
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanylacetamide;hydrochloride
CID 119459254
N-[(3S)-1-(2-tert-butylsulfanylethyl)piperidin-3-yl]-2-methylpropanamide
CID 124845099
3-bromo-N-[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167976644

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide (CID 129352911) is 2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide is CC(C)(C)SCC(=O)N[C@H]1CCN(CCN2CCOCC2)C1.
What is the InChIKey of 2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is TYMFQNSNUFFSTE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H31N3O2S/c1-16(2,3)22-13-15(20)17-14-4-5-19(12-14)7-6-18-8-10-21-11-9-18/h14H,4-13H2,1-3H3,(H,17,20)/t14-/m0/s1.
What are the key properties of 2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide?
2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 329.51 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 129352911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).