4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol

C12H19BrN2OS — CID 64820871

IUPAC4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(CO)CCSc1ccc(Br)cn1
InChIInChI=1S/C12H19BrN2OS/c1-9(2)15-11(8-16)5-6-17-12-4-3-10(13)7-14-12/h3-4,7,9,11,15-16H,5-6,8H2,1-2H3
InChIKeyLVGJLTOMXUVPRI-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.69
Rot. Bonds7

About 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol

4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64820871) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol
PubChem CID64820871
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC Name4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(CO)CCSc1ccc(Br)cn1
InChIInChI=1S/C12H19BrN2OS/c1-9(2)15-11(8-16)5-6-17-12-4-3-10(13)7-14-12/h3-4,7,9,11,15-16H,5-6,8H2,1-2H3
InChIKeyLVGJLTOMXUVPRI-UHFFFAOYSA-N
XLogP2.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol with MolForge

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Related Compounds

2-amino-4-[(5-bromo-2-pyridinyl)sulfanyl]butan-1-ol
CID 64821543
2-[(5-bromo-2-pyridinyl)sulfanyl]ethanol
CID 43446269
2-(propan-2-ylamino)-4-(4-propan-2-ylphenyl)sulfanylbutan-1-ol
CID 64806796
4-[(5-bromo-2-pyridinyl)sulfanyl]butan-2-one
CID 61339572
4-(3,4-difluorophenyl)sulfanyl-2-(propan-2-ylamino)butan-1-ol
CID 64819699
5-[(5-bromo-2-pyridinyl)sulfanyl]pentan-2-one
CID 61339408
tert-butyl N-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]carbamate
CID 146021302
5-bromo-2-butan-2-ylsulfanylpyridine
CID 61373794
tert-butyl 3-[(5-bromo-2-pyridinyl)sulfanyl]propanoate
CID 115590566
4-[(5-bromo-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)butan-1-ol
CID 64819078
6-[(5-bromo-2-pyridinyl)sulfanyl]hexan-3-one
CID 104623596
2-[(5-bromo-2-pyridinyl)sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 78850963

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol (CID 64820871) is 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol is CC(C)NC(CO)CCSc1ccc(Br)cn1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is LVGJLTOMXUVPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-9(2)15-11(8-16)5-6-17-12-4-3-10(13)7-14-12/h3-4,7,9,11,15-16H,5-6,8H2,1-2H3.
What are the key properties of 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol?
4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 319.27 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)sulfanyl]-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64820871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).