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

C16H31N3OS — CID 45211862

IUPACN-[2-(dimethylamino)ethyl]-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
SMILESCN(C)CCNC(=O)CCC1CCN(C2CCSC2)CC1
InChIInChI=1S/C16H31N3OS/c1-18(2)11-8-17-16(20)4-3-14-5-9-19(10-6-14)15-7-12-21-13-15/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyVBKGRVSVVHHROK-UHFFFAOYSA-N
MW313.51 g/mol
LogP1.66
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide (PubChem CID 45211862) has the molecular formula C16H31N3OS and a molecular weight of 313.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
PubChem CID45211862
Molecular FormulaC16H31N3OS
Molecular Weight313.51 g/mol
Exact Mass313.22
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
SMILESCN(C)CCNC(=O)CCC1CCN(C2CCSC2)CC1
InChIInChI=1S/C16H31N3OS/c1-18(2)11-8-17-16(20)4-3-14-5-9-19(10-6-14)15-7-12-21-13-15/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyVBKGRVSVVHHROK-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.51
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide (CID 45211862) is N-[2-(dimethylamino)ethyl]-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide is CN(C)CCNC(=O)CCC1CCN(C2CCSC2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide?
The InChIKey is VBKGRVSVVHHROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3OS/c1-18(2)11-8-17-16(20)4-3-14-5-9-19(10-6-14)15-7-12-21-13-15/h14-15H,3-13H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide?
N-[2-(dimethylamino)ethyl]-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide has a molecular weight of 313.51 g/mol, XLogP of 1.66, 7 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-(thiolan-3-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 45211862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).