2-(cyclopropylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol

C14H25N3OS — CID 64818854

IUPAC2-(cyclopropylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol
SMILESCn1ccnc1SCCCCC(C)(CO)NC1CC1
InChIInChI=1S/C14H25N3OS/c1-14(11-18,16-12-5-6-12)7-3-4-10-19-13-15-8-9-17(13)2/h8-9,12,16,18H,3-7,10-11H2,1-2H3
InChIKeyKFRNSAMLDCRPDQ-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.19
Rot. Bonds9

About 2-(cyclopropylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol

2-(cyclopropylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol (PubChem CID 64818854) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol
PubChem CID64818854
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-(cyclopropylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol
SMILESCn1ccnc1SCCCCC(C)(CO)NC1CC1
InChIInChI=1S/C14H25N3OS/c1-14(11-18,16-12-5-6-12)7-3-4-10-19-13-15-8-9-17(13)2/h8-9,12,16,18H,3-7,10-11H2,1-2H3
InChIKeyKFRNSAMLDCRPDQ-UHFFFAOYSA-N
XLogP2.19
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol (CID 64818854) is 2-(cyclopropylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol is Cn1ccnc1SCCCCC(C)(CO)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol?
The InChIKey is KFRNSAMLDCRPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-14(11-18,16-12-5-6-12)7-3-4-10-19-13-15-8-9-17(13)2/h8-9,12,16,18H,3-7,10-11H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol?
2-(cyclopropylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-6-(1-methylimidazol-2-yl)sulfanylhexan-1-ol is sourced from PubChem (CID 64818854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).