N-[(1-methylpyrrol-2-yl)methyl]thiolan-3-amine

C10H16N2S — CID 103701567

IUPACN-[(1-methylpyrrol-2-yl)methyl]thiolan-3-amine
SMILESCn1cccc1CNC1CCSC1
InChIInChI=1S/C10H16N2S/c1-12-5-2-3-10(12)7-11-9-4-6-13-8-9/h2-3,5,9,11H,4,6-8H2,1H3
InChIKeySGENATJBXQIWNJ-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.62
Rot. Bonds3

About N-[(1-methylpyrrol-2-yl)methyl]thiolan-3-amine

N-[(1-methylpyrrol-2-yl)methyl]thiolan-3-amine (PubChem CID 103701567) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]thiolan-3-amine
PubChem CID103701567
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]thiolan-3-amine
SMILESCn1cccc1CNC1CCSC1
InChIInChI=1S/C10H16N2S/c1-12-5-2-3-10(12)7-11-9-4-6-13-8-9/h2-3,5,9,11H,4,6-8H2,1H3
InChIKeySGENATJBXQIWNJ-UHFFFAOYSA-N
XLogP1.62
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propylpyrrol-2-yl)methyl]thiolan-3-amine
CID 103062608
1-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]piperidin-4-amine
CID 62132410
2,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclohexan-1-amine
CID 115641589
N-[(1-methylpyrrol-2-yl)methyl]oxan-3-amine
CID 63360497
N-[(4-phenylphenyl)methyl]thiolan-3-amine
CID 103701499
N-[(2-ethylphenyl)methyl]thiolan-3-amine
CID 64682824
(1S)-2-methyl-N-[(1-methylpyrrol-2-yl)methyl]cyclopentan-1-amine
CID 59436642
2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 62132229
[4-[(thiolan-3-ylamino)methyl]phenyl]methanol
CID 103062820
N-[(1-methylimidazol-2-yl)methyl]thian-3-amine
CID 63292249
N-[(5-ethylfuran-2-yl)methyl]thiolan-3-amine
CID 103766021
N-[(2-cyclopropylphenyl)methyl]thiolan-3-amine
CID 103739395

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]thiolan-3-amine?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]thiolan-3-amine (CID 103701567) is N-[(1-methylpyrrol-2-yl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]thiolan-3-amine is Cn1cccc1CNC1CCSC1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]thiolan-3-amine?
The InChIKey is SGENATJBXQIWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-12-5-2-3-10(12)7-11-9-4-6-13-8-9/h2-3,5,9,11H,4,6-8H2,1H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]thiolan-3-amine?
N-[(1-methylpyrrol-2-yl)methyl]thiolan-3-amine has a molecular weight of 196.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 103701567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).