(3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol

C10H15NOS — CID 103882959

IUPAC(3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
SMILESCc1ccc(CN2CC[C@H](O)C2)s1
InChIInChI=1S/C10H15NOS/c1-8-2-3-10(13-8)7-11-5-4-9(12)6-11/h2-3,9,12H,4-7H2,1H3/t9-/m0/s1
InChIKeyPVCPPNOLWHFSPP-VIFPVBQESA-N
MW197.30 g/mol
LogP1.62
Rot. Bonds2

About (3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol

(3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 103882959) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is (3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
PubChem CID103882959
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name(3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
SMILESCc1ccc(CN2CC[C@H](O)C2)s1
InChIInChI=1S/C10H15NOS/c1-8-2-3-10(13-8)7-11-5-4-9(12)6-11/h2-3,9,12H,4-7H2,1H3/t9-/m0/s1
InChIKeyPVCPPNOLWHFSPP-VIFPVBQESA-N
XLogP1.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(5-propan-2-ylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 171586281
4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 71220628
4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 70894300
4-methoxy-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 121020761
(3S)-1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 103882978
1-[(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 4044656
(3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
CID 103885885
2-[(5-methylthiophen-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79938951
(3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol
CID 167916543
N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793865
3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]propanoic acid
CID 65062242
1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 115532407

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol (CID 103882959) is (3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol is Cc1ccc(CN2CC[C@H](O)C2)s1.
What is the InChIKey of (3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is PVCPPNOLWHFSPP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NOS/c1-8-2-3-10(13-8)7-11-5-4-9(12)6-11/h2-3,9,12H,4-7H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol?
(3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 197.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 103882959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).