N-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide

C16H33N3OS — CID 42456808

IUPACN-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide
SMILESCSC[C@@H](C)N1CCC(CCC(=O)NCCN(C)C)CC1
InChIInChI=1S/C16H33N3OS/c1-14(13-21-4)19-10-7-15(8-11-19)5-6-16(20)17-9-12-18(2)3/h14-15H,5-13H2,1-4H3,(H,17,20)/t14-/m1/s1
InChIKeyDOUMKORXDQWLFY-CQSZACIVSA-N
MW315.53 g/mol
LogP1.91
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide

N-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide (PubChem CID 42456808) has the molecular formula C16H33N3OS and a molecular weight of 315.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide
PubChem CID42456808
Molecular FormulaC16H33N3OS
Molecular Weight315.53 g/mol
Exact Mass315.23
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide
SMILESCSC[C@@H](C)N1CCC(CCC(=O)NCCN(C)C)CC1
InChIInChI=1S/C16H33N3OS/c1-14(13-21-4)19-10-7-15(8-11-19)5-6-16(20)17-9-12-18(2)3/h14-15H,5-13H2,1-4H3,(H,17,20)/t14-/m1/s1
InChIKeyDOUMKORXDQWLFY-CQSZACIVSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.53
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 20719712
N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide
CID 42565370
N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 25481539
N-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide
CID 25276266
N-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide
CID 42286373
2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-1-amine
CID 83835390
N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110849594
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 113267480
N-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide
CID 110300491
N-(2-methoxyethyl)-3-[1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]propanamide
CID 42557895
N-(2-methoxyethyl)-3-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]propanamide
CID 23723475
3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 62781114

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide (CID 42456808) is N-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide is CSC[C@@H](C)N1CCC(CCC(=O)NCCN(C)C)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide?
The InChIKey is DOUMKORXDQWLFY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H33N3OS/c1-14(13-21-4)19-10-7-15(8-11-19)5-6-16(20)17-9-12-18(2)3/h14-15H,5-13H2,1-4H3,(H,17,20)/t14-/m1/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide?
N-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide has a molecular weight of 315.53 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 42456808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).