N-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine

C14H17N3S — CID 63806091

IUPACN-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine
SMILESCn1ccnc1Sc1ccc(CNC2CC2)cc1
InChIInChI=1S/C14H17N3S/c1-17-9-8-15-14(17)18-13-6-2-11(3-7-13)10-16-12-4-5-12/h2-3,6-9,12,16H,4-5,10H2,1H3
InChIKeyBOYUDLSPBGYBCH-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.82
Rot. Bonds5

About N-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine

N-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine (PubChem CID 63806091) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine
PubChem CID63806091
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine
SMILESCn1ccnc1Sc1ccc(CNC2CC2)cc1
InChIInChI=1S/C14H17N3S/c1-17-9-8-15-14(17)18-13-6-2-11(3-7-13)10-16-12-4-5-12/h2-3,6-9,12,16H,4-5,10H2,1H3
InChIKeyBOYUDLSPBGYBCH-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107783315
N-[[2-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methyl]cyclopropanamine
CID 63805394
N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine
CID 63805737
N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 55240005
4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]cyclohexan-1-ol
CID 56796537
2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 119699001
5-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63024808
N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63974152
N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine
CID 4722425
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
2-methyl-4-(1-methylimidazol-2-yl)sulfanylaniline
CID 43436429
N-[[3-methyl-4-[(1-propylimidazol-2-yl)methyl]phenyl]methyl]cyclopropanamine
CID 79739257

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine (CID 63806091) is N-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine is Cn1ccnc1Sc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine?
The InChIKey is BOYUDLSPBGYBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-17-9-8-15-14(17)18-13-6-2-11(3-7-13)10-16-12-4-5-12/h2-3,6-9,12,16H,4-5,10H2,1H3.
What are the key properties of N-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine?
N-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine has a molecular weight of 259.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63806091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).