N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[(2S)-oxolan-2-yl]propanamide

C17H26N2O2S — CID 94095207

IUPACN-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[(2S)-oxolan-2-yl]propanamide
SMILESC[C@H](CNC(=O)CC[C@@H]1CCCO1)N1CCc2sccc2C1
InChIInChI=1S/C17H26N2O2S/c1-13(19-8-6-16-14(12-19)7-10-22-16)11-18-17(20)5-4-15-3-2-9-21-15/h7,10,13,15H,2-6,8-9,11-12H2,1H3,(H,18,20)/t13-,15+/m1/s1
InChIKeyKPQSAEQTDFCMKY-HIFRSBDPSA-N
MW322.47 g/mol
LogP2.57
Rot. Bonds6

About N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[(2S)-oxolan-2-yl]propanamide

N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[(2S)-oxolan-2-yl]propanamide (PubChem CID 94095207) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[(2S)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[(2S)-oxolan-2-yl]propanamide
PubChem CID94095207
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[(2S)-oxolan-2-yl]propanamide
SMILESC[C@H](CNC(=O)CC[C@@H]1CCCO1)N1CCc2sccc2C1
InChIInChI=1S/C17H26N2O2S/c1-13(19-8-6-16-14(12-19)7-10-22-16)11-18-17(20)5-4-15-3-2-9-21-15/h7,10,13,15H,2-6,8-9,11-12H2,1H3,(H,18,20)/t13-,15+/m1/s1
InChIKeyKPQSAEQTDFCMKY-HIFRSBDPSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(methylamino)butanamide
CID 119856324
4-(4-bromophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-oxobutanamide
CID 46449340
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methoxyacetamide
CID 94095217
N-[(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 94112899
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 94097446
(3R)-N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1,1-dioxothiolane-3-carboxamide
CID 94095233
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine
CID 62439644
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methyl-3-propan-2-ylguanidine
CID 111126538
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 75493563
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 39182076
N-[(2S)-2-hydroxypropyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 93044550
N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide
CID 114296653

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[(2S)-oxolan-2-yl]propanamide?
The IUPAC name of N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[(2S)-oxolan-2-yl]propanamide (CID 94095207) is N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[(2S)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[(2S)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[(2S)-oxolan-2-yl]propanamide is C[C@H](CNC(=O)CC[C@@H]1CCCO1)N1CCc2sccc2C1.
What is the InChIKey of N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[(2S)-oxolan-2-yl]propanamide?
The InChIKey is KPQSAEQTDFCMKY-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13(19-8-6-16-14(12-19)7-10-22-16)11-18-17(20)5-4-15-3-2-9-21-15/h7,10,13,15H,2-6,8-9,11-12H2,1H3,(H,18,20)/t13-,15+/m1/s1.
What are the key properties of N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[(2S)-oxolan-2-yl]propanamide?
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[(2S)-oxolan-2-yl]propanamide has a molecular weight of 322.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-[(2S)-oxolan-2-yl]propanamide is sourced from PubChem (CID 94095207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).