N-cyclopropyl-3-[1-(thian-4-yl)piperidin-4-yl]propanamide

C16H28N2OS — CID 42195893

IUPACN-cyclopropyl-3-[1-(thian-4-yl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C2CCSCC2)CC1)NC1CC1
InChIInChI=1S/C16H28N2OS/c19-16(17-14-2-3-14)4-1-13-5-9-18(10-6-13)15-7-11-20-12-8-15/h13-15H,1-12H2,(H,17,19)
InChIKeyKLSRKVKUNUGNFK-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.65
Rot. Bonds5

About N-cyclopropyl-3-[1-(thian-4-yl)piperidin-4-yl]propanamide

N-cyclopropyl-3-[1-(thian-4-yl)piperidin-4-yl]propanamide (PubChem CID 42195893) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(thian-4-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(thian-4-yl)piperidin-4-yl]propanamide
PubChem CID42195893
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-cyclopropyl-3-[1-(thian-4-yl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C2CCSCC2)CC1)NC1CC1
InChIInChI=1S/C16H28N2OS/c19-16(17-14-2-3-14)4-1-13-5-9-18(10-6-13)15-7-11-20-12-8-15/h13-15H,1-12H2,(H,17,19)
InChIKeyKLSRKVKUNUGNFK-UHFFFAOYSA-N
XLogP2.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(thian-4-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-(thian-4-yl)piperidin-4-yl]propanamide (CID 42195893) is N-cyclopropyl-3-[1-(thian-4-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(thian-4-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-(thian-4-yl)piperidin-4-yl]propanamide is O=C(CCC1CCN(C2CCSCC2)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[1-(thian-4-yl)piperidin-4-yl]propanamide?
The InChIKey is KLSRKVKUNUGNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c19-16(17-14-2-3-14)4-1-13-5-9-18(10-6-13)15-7-11-20-12-8-15/h13-15H,1-12H2,(H,17,19).
What are the key properties of N-cyclopropyl-3-[1-(thian-4-yl)piperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-(thian-4-yl)piperidin-4-yl]propanamide has a molecular weight of 296.48 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(thian-4-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 42195893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).