N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(thian-4-yl)piperidin-4-yl]propanamide

C20H37N3OS — CID 45244352

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(thian-4-yl)piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C2CCSCC2)CC1
InChIInChI=1S/C20H37N3OS/c1-2-22-11-3-4-19(22)16-21-20(24)6-5-17-7-12-23(13-8-17)18-9-14-25-15-10-18/h17-19H,2-16H2,1H3,(H,21,24)
InChIKeyMRAPKIWZCQUQTM-UHFFFAOYSA-N
MW367.60 g/mol
LogP2.97
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(thian-4-yl)piperidin-4-yl]propanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(thian-4-yl)piperidin-4-yl]propanamide (PubChem CID 45244352) has the molecular formula C20H37N3OS and a molecular weight of 367.60 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(thian-4-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(thian-4-yl)piperidin-4-yl]propanamide
PubChem CID45244352
Molecular FormulaC20H37N3OS
Molecular Weight367.60 g/mol
Exact Mass367.27
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(thian-4-yl)piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C2CCSCC2)CC1
InChIInChI=1S/C20H37N3OS/c1-2-22-11-3-4-19(22)16-21-20(24)6-5-17-7-12-23(13-8-17)18-9-14-25-15-10-18/h17-19H,2-16H2,1H3,(H,21,24)
InChIKeyMRAPKIWZCQUQTM-UHFFFAOYSA-N
XLogP2.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.60
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(thian-4-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(thian-4-yl)piperidin-4-yl]propanamide (CID 45244352) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(thian-4-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(thian-4-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(thian-4-yl)piperidin-4-yl]propanamide is CCN1CCCC1CNC(=O)CCC1CCN(C2CCSCC2)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(thian-4-yl)piperidin-4-yl]propanamide?
The InChIKey is MRAPKIWZCQUQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3OS/c1-2-22-11-3-4-19(22)16-21-20(24)6-5-17-7-12-23(13-8-17)18-9-14-25-15-10-18/h17-19H,2-16H2,1H3,(H,21,24).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(thian-4-yl)piperidin-4-yl]propanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(thian-4-yl)piperidin-4-yl]propanamide has a molecular weight of 367.60 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(thian-4-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 45244352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).